In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2006 | 30 | No |
Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-5-(p-tolyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-chlorophenyl)-hydroxy-meth…
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) | 3.67 | 10.05 | -56.73 | 0 | 5 | -1 | 73 | 417.872 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.11 | 10.15 | -43.32 | 2 | 5 | 1 | 72 | 419.888 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 9.23 | -14.6 | 1 | 5 | 0 | 71 | 418.88 | 5 | ↓ |