In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 31 | Yes |
Popular Name: 2-[2-[3-(azepan-1-yl)propyl]benzimidazol-1-yl]-N,N-diisobutyl-acetamide 2-[2-[3-(azepan-1-yl)propyl]benz…
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) | 5.09 | 15.79 | -52.16 | 1 | 5 | 1 | 43 | 427.657 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.09 | 16.26 | -95.97 | 2 | 5 | 2 | 44 | 428.665 | 10 | ↓ |