| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 36 | No |
Popular Name: 4-(4-benzyloxybenzoyl)-3-hydroxy-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-benzyloxybenzoyl)-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) | 2.96 | 11.06 | -42.27 | 0 | 7 | -1 | 95 | 476.512 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 10.22 | -34.71 | 1 | 7 | 0 | 93 | 477.52 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | -0.92 | -26.82 | 0 | 7 | 0 | 89 | 477.52 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 10.5 | -73.2 | 2 | 7 | 1 | 94 | 478.528 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 10.5 | -60.69 | 2 | 7 | 1 | 94 | 478.528 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 10.78 | -114.93 | 3 | 7 | 2 | 95 | 479.536 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | -0.81 | -65.54 | 1 | 7 | 1 | 90 | 478.528 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | -0.81 | -62.79 | 1 | 7 | 1 | 90 | 478.528 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | -0.7 | -116.91 | 2 | 7 | 2 | 91 | 479.536 | 8 | ↓ |
