| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 27th, 2006 | 30 | No |
Popular Name: 1-benzyl-3-hydroxy-4-(3-phenylprop-2-enoyl)-5-(3-pyridyl)-5H-pyrrol-2-one 1-benzyl-3-hydroxy-4-(3-phenylpr…
| 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) | 2.91 | 10.31 | -16.47 | 1 | 5 | 0 | 71 | 396.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 11.16 | -27.06 | 0 | 5 | 0 | 67 | 396.446 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 10.46 | -69.63 | 2 | 5 | 1 | 72 | 397.454 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 11.46 | -69.23 | 1 | 5 | 1 | 69 | 397.454 | 6 | ↓ |
