| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | Yes |
Popular Name: (2S)-2-cyclopropyl-3-(2-methylbenzimidazol-1-yl)-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(2-methylbe…
| 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) | 2.96 | 8.14 | -11.11 | 1 | 4 | 0 | 54 | 282.391 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.96 | 8.58 | -27.68 | 2 | 4 | 1 | 55 | 283.399 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 9.47 | -100.35 | 3 | 4 | 2 | 59 | 284.407 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
