In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 25 | Yes |
Popular Name: 2-(azepan-1-ylmethyl)-1-[(4-fluorophenyl)methyl]benzimidazole 2-(azepan-1-ylmethyl)-1-[(4-fluo…
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) | 4.58 | 13.15 | -47.09 | 1 | 3 | 1 | 22 | 338.45 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.58 | 11.22 | -8.79 | 0 | 3 | 0 | 21 | 337.442 | 4 | ↓ |