In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 29 | No |
Popular Name: 5-(3-chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-hydroxypropyl)-5H-pyrrol-2-one 5-(3-chlorophenyl)-4-(4-ethoxybe…
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) | 3.10 | 6.63 | -56.96 | 1 | 6 | -1 | 90 | 414.865 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.55 | -2.88 | -26.99 | 2 | 6 | 0 | 87 | 415.873 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | -2.66 | -19.1 | 1 | 6 | 0 | 83 | 415.873 | 8 | ↓ |