In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 28 | No |
Popular Name: 4-(4-chlorobenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(4-chlorop…
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) | 3.99 | 9.81 | -51.24 | 0 | 5 | -1 | 70 | 419.284 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 9.37 | -18.53 | 0 | 5 | 0 | 64 | 420.292 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 8.38 | -27.26 | 1 | 5 | 0 | 67 | 420.292 | 6 | ↓ |