In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2007 | 27 | No |
Popular Name: 5-(4-chlorophenyl)-1-(3-hydroxypropyl)-4-[hydroxy-(p-tolyl)methylene]-pyrrolidine-2,3-dione 5-(4-chlorophenyl)-1-(3-hydroxyp…
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) | 3.14 | 7.12 | -60.23 | 1 | 5 | -1 | 81 | 384.839 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.56 | 7.41 | -11.9 | 1 | 5 | 0 | 75 | 385.847 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.59 | 7.42 | -13.08 | 2 | 5 | 0 | 78 | 385.847 | 5 | ↓ |