In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 29 | Yes |
Popular Name: 2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(4-chloro-3-methyl-phenoxy)ethyl]benzimidazole 2-[(1S)-1-(azepan-1-yl)ethyl]-1-…
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) | 6.11 | 13.77 | -37.32 | 1 | 4 | 1 | 31 | 412.985 | 6 | ↓ |
Hi High (pH 8-9.5) | 6.11 | 11.87 | -7.44 | 0 | 4 | 0 | 30 | 411.977 | 6 | ↓ |