| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 21 | Yes |
Popular Name: 3-[(3S)-3-(benzimidazole-1-carbonyl)-1-piperidyl]propanenitrile 3-[(3S)-3-(benzimidazole-1-carbo…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.64 | 7.51 | -16.14 | 0 | 5 | 0 | 62 | 282.347 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 9.76 | -64.64 | 1 | 5 | 1 | 63 | 283.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 10.24 | -120.79 | 2 | 5 | 2 | 64 | 284.363 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
