In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2009 | 28 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[2-[(1S)-1-(azepan-1-yl)ethyl]benzimidazol-1-yl]ethanone 1-(azepan-1-yl)-2-[2-[(1S)-1-(az…
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) | 4.14 | 12.94 | -41.42 | 1 | 5 | 1 | 43 | 383.56 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.14 | 10.7 | -14.86 | 0 | 5 | 0 | 41 | 382.552 | 4 | ↓ |