| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2006 | 33 | No |
Popular Name: 3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-isopropylphenyl)-…
| 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) | 4.11 | 10.52 | -41.87 | 0 | 6 | -1 | 83 | 441.507 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.55 | -0.27 | -26.92 | 1 | 6 | 0 | 79 | 442.515 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 0.03 | -22.9 | 0 | 6 | 0 | 76 | 442.515 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.55 | -0.04 | -54.14 | 2 | 6 | 1 | 80 | 443.523 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.53 | 0.26 | -53.78 | 1 | 6 | 1 | 77 | 443.523 | 7 | ↓ |
