In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 27 | No |
Popular Name: (5S)-4-(4-chlorobenzoyl)-5-(4-ethylphenyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-5-(4-et…
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) | 3.34 | 7.2 | -60.65 | 1 | 5 | -1 | 81 | 384.839 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.78 | 6.15 | -30.01 | 2 | 5 | 0 | 78 | 385.847 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 7.12 | -22.26 | 1 | 5 | 0 | 75 | 385.847 | 6 | ↓ |