| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 32 | No |
Popular Name: (5S)-5-(2-fluorophenyl)-2-keto-4-(4-nitrobenzoyl)-1-(p-tolyl)-3-pyrrolin-3-olate (5S)-5-(2-fluorophenyl)-2-keto-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) | 4.60 | 12.08 | -50.69 | 0 | 7 | -1 | 106 | 431.399 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.04 | 2.05 | -27.59 | 1 | 7 | 0 | 103 | 432.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 2.35 | -16.49 | 0 | 7 | 0 | 100 | 432.407 | 5 | ↓ |
