In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 27 | Yes |
Popular Name: 2-[3-(azepan-1-yl)propyl]-1-[(4-bromophenyl)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) | 5.90 | 15.13 | -49.37 | 1 | 3 | 1 | 22 | 427.41 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.90 | 15.56 | -104.9 | 2 | 3 | 2 | 24 | 428.418 | 6 | ↓ |