| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 14th, 2006 | 30 | No |
Popular Name: 3-hydroxy-4-(3-phenylprop-2-enoyl)-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-4-(3-phenylprop-2-enoy…
| 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) | 1.68 | 8.44 | -17.38 | 1 | 6 | 0 | 83 | 397.434 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | 9.27 | -26.67 | 0 | 6 | 0 | 80 | 397.434 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 8.65 | -64.79 | 2 | 6 | 1 | 85 | 398.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 9.6 | -65.45 | 1 | 6 | 1 | 81 | 398.442 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 8.96 | -134.31 | 3 | 6 | 2 | 86 | 399.45 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 8.64 | -55.2 | 2 | 6 | 1 | 85 | 398.442 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 9.92 | -143.49 | 2 | 6 | 2 | 83 | 399.45 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | 9.59 | -58.17 | 1 | 6 | 1 | 81 | 398.442 | 6 | ↓ |
