MCULE-8798436210
- InChIKey:
- SMILES:
- InChI:
- Formula:
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-3870310691
- Component type: Counter Ion
-
MCULE-7221534928
- Component type: Counter Ion
-
MCULE-6816189701
- Component type: Counter Ion
-
MCULE-8758631770
- Component type: Counter Ion
-
MCULE-7924076864
- Component type: Counter Ion
-
MCULE-1787994745
- Component type: Counter Ion
-
MCULE-9531863788
- Component type: Counter Ion
-
MCULE-8388921294
- Component type: Counter Ion
-
MCULE-4857627645
- Component type: Counter Ion
-
MCULE-9145378561
- Component type: Counter Ion
-
MCULE-5378420673
- Component type: Counter Ion
-
MCULE-1944452251
- Component type: Counter Ion
-
MCULE-9749836604
- Component type: Counter Ion
-
MCULE-5363970532
- Component type: Counter Ion
-
MCULE-8239325195
- Component type: Counter Ion
-
MCULE-8602528678
- Component type: Counter Ion
-
MCULE-5001223336
- Component type: Counter Ion
-
MCULE-3655259510
- Component type: Counter Ion
-
MCULE-6377685466
- Component type: Counter Ion
-
MCULE-1948922621
- Component type: Counter Ion
-
MCULE-1342262392
- Component type: Counter Ion
-
MCULE-1837366554
- Component type: Counter Ion
-
MCULE-7762298181
- Component type: Counter Ion
-
MCULE-4839540006
- Component type: Counter Ion
-
MCULE-2919106331
- Component type: Counter Ion
-
MCULE-1615948094
- Component type: Counter Ion
-
MCULE-4696668614
- Component type: Counter Ion
-
MCULE-3114633078
- Component type: Counter Ion
-
MCULE-1856383069
- Component type: Counter Ion
-
MCULE-7102354832
- Component type: Counter Ion
-
MCULE-4925633888
- Component type: Counter Ion
-
MCULE-3120073470
- Component type: Counter Ion
-
MCULE-6293387548
- Component type: Counter Ion
-
MCULE-8171823933
- Component type: Counter Ion
-
MCULE-9164996727
- Component type: Counter Ion
-
MCULE-5492961445
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8798436210.sdf |
| SMILES | MCULE-8798436210.smiles |
| Standard InChI | MCULE-8798436210.inchi |
| InChIKey | MCULE-8798436210.txt |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 74.145 |
| logP | 0.3224 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 23.7164 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 12 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
