In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 30 | Yes |
Popular Name: N-[2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide N-[2-[1-[2-(azepan-1-yl)-2-oxo-e…
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) | 2.08 | 9.54 | -21.39 | 1 | 7 | 0 | 80 | 405.502 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.08 | 9.97 | -41.58 | 2 | 7 | 1 | 81 | 406.51 | 6 | ↓ |