| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | No |
Popular Name: (2S)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(4-pyridyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-methyl-3-(5-met…
| 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) | 0.57 | 4.75 | -57.35 | 0 | 6 | -1 | 86 | 297.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 4.46 | -43.4 | 2 | 6 | 1 | 85 | 299.306 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 4 | -13.09 | 1 | 6 | 0 | 84 | 298.298 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.57 | 5.21 | -67.78 | 1 | 6 | 0 | 88 | 298.298 | 3 | ↓ |
