In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2008 | 28 | No |
Popular Name: (5S)-5-(4-ethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5S)-5-(4-ethoxyphenyl)-3-hydrox…
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) | 2.63 | 6.14 | -65.83 | 1 | 6 | -1 | 90 | 380.42 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 5.1 | -30.58 | 2 | 6 | 0 | 87 | 381.428 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 6.1 | -22.25 | 1 | 6 | 0 | 84 | 381.428 | 7 | ↓ |