In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2005 | 35 | Yes |
Popular Name: methyl-(4-methyl-2-pyridyl)-(3,4,5-trimethoxyphenyl)-BLAHdione methyl-(4-methyl-2-pyridyl)-(3,4…
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) | 4.09 | 11.58 | -13.62 | 0 | 8 | 0 | 91 | 472.497 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 11.97 | -37.82 | 1 | 8 | 1 | 92 | 473.505 | 5 | ↓ |