| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2006 | 31 | No |
Popular Name: 3-hydroxy-4-(3-phenylprop-2-enoyl)-5-(p-tolyl)-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) | 3.36 | 0.95 | -13.99 | 1 | 5 | 0 | 70 | 410.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.36 | 0.92 | -20.55 | 1 | 5 | 0 | 70 | 410.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 0.76 | -22.06 | 0 | 5 | 0 | 67 | 410.473 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 1.03 | -55.03 | 2 | 5 | 1 | 71 | 411.481 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 0.76 | -61.61 | 2 | 5 | 1 | 71 | 411.481 | 5 | ↓ |
