In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 32 | No |
Popular Name: 5-(3,4-dimethoxyphenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-4-(4-eth…
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) | 2.44 | 7.29 | -45.18 | 0 | 8 | -1 | 97 | 440.472 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 6.92 | -26.03 | 0 | 8 | 0 | 91 | 441.48 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 5.93 | -32.65 | 1 | 8 | 0 | 95 | 441.48 | 9 | ↓ |