| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2006 | 29 | No |
Popular Name: 3-hydroxy-1-phenethyl-5-(3-pyridyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one 3-hydroxy-1-phenethyl-5-(3-pyrid…
| 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) | 1.66 | 9.49 | -53.96 | 0 | 6 | -1 | 86 | 384.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | -1.62 | -30.54 | 1 | 6 | 0 | 83 | 385.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.07 | -1.33 | -24.37 | 0 | 6 | 0 | 80 | 385.423 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | -1.5 | -68.81 | 2 | 6 | 1 | 84 | 386.431 | 5 | ↓ |
