| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2004 | 27 | No |
Popular Name: (5S)-4-acetyl-2-keto-5-(3-nitrophenyl)-1-phenethyl-3-pyrrolin-3-olate (5S)-4-acetyl-2-keto-5-(3-nitrop…
| 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) | 2.52 | 10.92 | -52.14 | 0 | 7 | -1 | 106 | 365.365 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.51 | 1.19 | -22.67 | 1 | 7 | 0 | 103 | 366.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.93 | 1.27 | -24.92 | 0 | 7 | 0 | 100 | 366.373 | 6 | ↓ |
