| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 25 | No |
Popular Name: (5S)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-methylbenzoyl)-5-(3-pyridyl)-5H-pyrrol-2-one (5S)-3-hydroxy-1-(2-hydroxyethyl…
| 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) | 0.96 | 4.05 | -66.89 | 1 | 6 | -1 | 94 | 337.355 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 2.96 | -26.5 | 2 | 6 | 0 | 91 | 338.363 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | 3.94 | -22.62 | 1 | 6 | 0 | 88 | 338.363 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 3.22 | -59.39 | 3 | 6 | 1 | 92 | 339.371 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 4.22 | -51.15 | 2 | 6 | 1 | 89 | 339.371 | 5 | ↓ |
