In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 30 | Yes |
Popular Name: 2-[3-(azepan-1-yl)propyl]-1-[[4-[(1R)-1-methylpropyl]phenyl]methyl]benzimidazole 2-[3-(azepan-1-yl)propyl]-1-[[4-…
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) | 6.95 | 17.1 | -45.45 | 1 | 3 | 1 | 22 | 404.622 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.95 | 17.1 | -96.51 | 2 | 3 | 2 | 24 | 405.63 | 8 | ↓ |