In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2007 | 31 | No |
Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(4-pyridyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-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) | 1.91 | 8.17 | -56.07 | 2 | 7 | 1 | 84 | 442.923 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.33 | 8.87 | -65.38 | 1 | 7 | 1 | 81 | 442.923 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 9.15 | -122.8 | 2 | 7 | 2 | 82 | 443.931 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 8.1 | -123.31 | 3 | 7 | 2 | 85 | 443.931 | 6 | ↓ |