| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2006 | 30 | No |
Popular Name: 3-hydroxy-1-(3-hydroxypropyl)-4-(4-methoxybenzoyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one 3-hydroxy-1-(3-hydroxypropyl)-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) | 2.01 | 5.97 | -57.21 | 1 | 9 | -1 | 136 | 411.39 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 4.94 | -30.1 | 2 | 9 | 0 | 133 | 412.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 5.95 | -22.96 | 1 | 9 | 0 | 130 | 412.398 | 8 | ↓ |
