| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2007 | 32 | No |
Popular Name: 4-(4-allyloxybenzoyl)-3-hydroxy-5-(4-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-allyloxybenzoyl)-3-hydroxy-…
| 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) | 1.95 | 9.15 | -39.03 | 0 | 7 | -1 | 95 | 426.452 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | -1.37 | -29.61 | 1 | 7 | 0 | 92 | 427.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | -1.12 | -27.6 | 0 | 7 | 0 | 89 | 427.46 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 8.1 | -69.63 | 1 | 7 | 1 | 91 | 428.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 8.09 | -54.1 | 1 | 7 | 1 | 91 | 428.468 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.39 | -122.04 | 3 | 7 | 2 | 95 | 429.476 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 8.38 | -122.11 | 2 | 7 | 2 | 92 | 429.476 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.11 | -51.4 | 2 | 7 | 1 | 94 | 428.468 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.40 | 7.12 | -74.13 | 2 | 7 | 1 | 94 | 428.468 | 7 | ↓ |
