| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2007 | 37 | No |
Popular Name: 4-(4-butoxybenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-butoxybenzoyl)-5-(3,4-dimet…
| 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) | 3.68 | 11.21 | -43.59 | 0 | 8 | -1 | 101 | 501.559 | 11 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | -0.36 | -30.88 | 1 | 8 | 0 | 98 | 502.567 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | -0.09 | -27.66 | 0 | 8 | 0 | 95 | 502.567 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 4.13 | 9.17 | -54.02 | 2 | 8 | 1 | 99 | 503.575 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.10 | 10.15 | -55.54 | 1 | 8 | 1 | 96 | 503.575 | 11 | ↓ |
