In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 23 | Yes |
Popular Name: N-(4-chlorophenyl)-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide N-(4-chlorophenyl)-6-(1,4-diazep…
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) | 2.28 | 7.72 | -51.15 | 3 | 5 | 1 | 62 | 331.827 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.28 | 8.04 | -107.52 | 4 | 5 | 2 | 63 | 332.835 | 3 | ↓ |