In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
Popular Name: 2-[(1S)-1-(azepan-1-yl)ethyl]-1-[4-(2,3-dimethylphenoxy)butyl]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) | 6.40 | 15.53 | -38.86 | 1 | 4 | 1 | 31 | 420.621 | 8 | ↓ |
Hi High (pH 8-9.5) | 6.40 | 14.22 | -9.73 | 0 | 4 | 0 | 30 | 419.613 | 8 | ↓ |