| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2006 | 32 | No |
Popular Name: 4-(4-ethoxybenzoyl)-3-hydroxy-5-(p-tolyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 4-(4-ethoxybenzoyl)-3-hydroxy-5-…
| 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) | 3.42 | 9.84 | -63.12 | 0 | 6 | -1 | 83 | 427.48 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.87 | -0.01 | -31.34 | 1 | 6 | 0 | 79 | 428.488 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 0.2 | -21.99 | 0 | 6 | 0 | 76 | 428.488 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.87 | 0.1 | -55.97 | 2 | 6 | 1 | 80 | 429.496 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 0.31 | -56.84 | 1 | 6 | 1 | 77 | 429.496 | 7 | ↓ |
