| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 34 | No |
Popular Name: 4-(4-allyloxybenzoyl)-3-hydroxy-5-(2-methoxyphenyl)-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) | 3.25 | 11.8 | -44.58 | 0 | 7 | -1 | 92 | 455.49 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.70 | 0.28 | -29.4 | 1 | 7 | 0 | 88 | 456.498 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 0.49 | -19.89 | 0 | 7 | 0 | 85 | 456.498 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 9.27 | -52.09 | 2 | 7 | 1 | 90 | 457.506 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | 10.29 | -52.81 | 1 | 7 | 1 | 87 | 457.506 | 9 | ↓ |
