In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 31 | No |
Popular Name: 4-(4-chlorobenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(1-naphthyl)-5H-pyrrol-2-one 4-(4-chlorobenzoyl)-3-hydroxy-1-…
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) | 4.47 | 11.14 | -51.98 | 0 | 5 | -1 | 70 | 434.899 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 10.99 | -14.08 | 0 | 5 | 0 | 64 | 435.907 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.92 | 10.02 | -32.39 | 1 | 5 | 0 | 67 | 435.907 | 6 | ↓ |