In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 37 | No |
Popular Name: N3,N5-bis(2-chlorophenyl)-2,6-dimethyl-4-phenyl-1-propyl-4H-pyridine-3,5-dicarboxamide N3,N5-bis(2-chlorophenyl)-2,6-di…
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) | 7.90 | 15.04 | -12.16 | 2 | 5 | 0 | 61 | 534.487 | 7 | ↓ |
Hi High (pH 8-9.5) | 8.08 | 13.44 | -55.05 | 1 | 5 | -1 | 68 | 533.479 | 7 | ↓ |
Hi High (pH 8-9.5) | 8.08 | 13.46 | -53.21 | 1 | 5 | -1 | 68 | 533.479 | 7 | ↓ |