| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 30 | No |
Popular Name: 3-hydroxy-4-(4-methylbenzoyl)-1-(2-phenylethyl)-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methylbenzoyl)-1-…
| 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) | 3.34 | 10.74 | -58.84 | 0 | 5 | -1 | 73 | 397.454 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.79 | 0.15 | -17.84 | 1 | 5 | 0 | 70 | 398.462 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 0.24 | -22.37 | 0 | 5 | 0 | 67 | 398.462 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.79 | 0.68 | -50.55 | 2 | 5 | 1 | 71 | 399.47 | 5 | ↓ |
