In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2005 | 30 | No |
Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-5-(p-tolyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-fluorophenyl)-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) | 3.10 | 9.66 | -57.42 | 0 | 5 | -1 | 73 | 401.417 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.10 | 1.12 | -11.72 | 1 | 5 | 0 | 70 | 402.425 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 1.01 | -11.41 | 0 | 5 | 0 | 67 | 402.425 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.10 | 1.23 | -40.86 | 2 | 5 | 1 | 71 | 403.433 | 5 | ↓ |