In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 32 | No |
Popular Name: 5-(4-chlorophenyl)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one 5-(4-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) | 3.65 | 10.46 | -59.39 | 0 | 6 | -1 | 83 | 447.898 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 8.62 | -30.22 | 1 | 6 | 0 | 80 | 448.906 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 9.64 | -25.13 | 0 | 6 | 0 | 77 | 448.906 | 7 | ↓ |