| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 33 | No |
Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…
| 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) | 3.27 | 9.81 | -54.01 | 0 | 9 | -1 | 125 | 451.455 | 11 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 8.75 | -28.68 | 1 | 9 | 0 | 122 | 452.463 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 9.73 | -23.09 | 0 | 9 | 0 | 119 | 452.463 | 11 | ↓ |
