In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 32 | Yes |
Popular Name: 6-methyl-3-(4-methylpiperazine-1-carbonyl)-2-phenethyl-1-(2-pyridylmethyl)pyridin-4-one 6-methyl-3-(4-methylpiperazine-1…
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) | 2.13 | 10.7 | -25.81 | 0 | 6 | 0 | 58 | 430.552 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 13.38 | -122.94 | 2 | 6 | 2 | 61 | 432.568 | 6 | ↓ |