| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2006 | 31 | No |
Popular Name: 5-(3-ethoxyphenyl)-3-hydroxy-4-(4-pyridylcarbonyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 5-(3-ethoxyphenyl)-3-hydroxy-4-(…
| 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 | 9.01 | -50.79 | 0 | 7 | -1 | 95 | 414.441 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 8.12 | -17.59 | 0 | 7 | 0 | 89 | 415.449 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 7.11 | -25.81 | 1 | 7 | 0 | 93 | 415.449 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.08 | 8.4 | -59.6 | 1 | 7 | 1 | 91 | 416.457 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.11 | 7.39 | -59.07 | 2 | 7 | 1 | 94 | 416.457 | 6 | ↓ |
