In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 30 | No |
Popular Name: (5R)-4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-5H-pyrrol-2-one (5R)-4-(4-ethoxybenzoyl)-3-hydro…
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) | 2.09 | 5.36 | -61.27 | 1 | 9 | -1 | 136 | 411.39 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 4.6 | -32.9 | 2 | 9 | 0 | 133 | 412.398 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 5.33 | -18.2 | 1 | 9 | 0 | 130 | 412.398 | 8 | ↓ |