In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 30 | No |
Popular Name: 4-benzoyl-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-nitrophenyl)-5H-pyrrol-2-one 4-benzoyl-3-hydroxy-1-[2-(2-hydr…
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) | 1.60 | 6.05 | -58.51 | 1 | 9 | -1 | 136 | 411.39 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 5.02 | -29.87 | 2 | 9 | 0 | 133 | 412.398 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 6 | -23.84 | 1 | 9 | 0 | 130 | 412.398 | 9 | ↓ |