In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 30 | No |
Popular Name: 5-(3,4-dichlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one 5-(3,4-dichlorophenyl)-4-(4-etho…
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) | 4.08 | 8.4 | -56.52 | 0 | 6 | -1 | 79 | 449.31 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 8.31 | -27.72 | 0 | 6 | 0 | 73 | 450.318 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.53 | 7.32 | -31.82 | 1 | 6 | 0 | 76 | 450.318 | 7 | ↓ |