In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 26 | Yes |
Popular Name: 2-[(1S)-1-(azepan-1-yl)ethyl]-1-[(4-bromophenyl)methyl]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) | 5.78 | 13.5 | -40.84 | 1 | 3 | 1 | 22 | 413.383 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.78 | 11.61 | -8.69 | 0 | 3 | 0 | 21 | 412.375 | 4 | ↓ |