In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 30 | Yes |
Popular Name: N-[(1R)-1-[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide N-[(1R)-1-[1-[2-(azepan-1-yl)-2-…
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) | 2.23 | 9.51 | -16.92 | 1 | 7 | 0 | 80 | 405.502 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 10.07 | -39.61 | 2 | 7 | 1 | 81 | 406.51 | 5 | ↓ |