In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 17 | Yes |
Popular Name: 3-[(1-ethylbenzimidazol-2-yl)methylamino]propanenitrile 3-[(1-ethylbenzimidazol-2-yl)met…
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) | 0.99 | 5.67 | -13.68 | 1 | 4 | 0 | 54 | 228.299 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 7.03 | -61.04 | 2 | 4 | 1 | 58 | 229.307 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 6.16 | -34.85 | 2 | 4 | 1 | 55 | 229.307 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.99 | 7.52 | -126.41 | 3 | 4 | 2 | 59 | 230.315 | 5 | ↓ |