In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 28 | No |
Popular Name: 4-(4-chlorobenzoyl)-5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-5-(3,4-dichl…
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) | 4.32 | 9.45 | -36.08 | 0 | 5 | -1 | 70 | 439.702 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.74 | -0.77 | -23.36 | 0 | 5 | 0 | 63 | 440.71 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.77 | 8.02 | -31.49 | 1 | 5 | 0 | 67 | 440.71 | 5 | ↓ |