| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 36 | No |
Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-4-(4-propoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-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) | 3.12 | 10.44 | -42.25 | 0 | 8 | -1 | 101 | 487.532 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 9.08 | -24.11 | 0 | 8 | 0 | 95 | 488.54 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.57 | 8.06 | -27.95 | 1 | 8 | 0 | 98 | 488.54 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 8.37 | -55.12 | 2 | 8 | 1 | 99 | 489.548 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 9.39 | -56 | 1 | 8 | 1 | 96 | 489.548 | 10 | ↓ |
