| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2008 | 33 | No |
Popular Name: (5S)-3-hydroxy-1-phenethyl-4-(4-propoxybenzoyl)-5-(4-pyridyl)-5H-pyrrol-2-one (5S)-3-hydroxy-1-phenethyl-4-(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) | 3.83 | 11.5 | -38.26 | 0 | 6 | -1 | 83 | 441.507 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.27 | 10.04 | -27.46 | 1 | 6 | 0 | 80 | 442.515 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 11.05 | -20.92 | 0 | 6 | 0 | 77 | 442.515 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.27 | 10.32 | -69.02 | 2 | 6 | 1 | 81 | 443.523 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.24 | 11.33 | -61.62 | 1 | 6 | 1 | 78 | 443.523 | 9 | ↓ |
