| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | No |
Popular Name: (5S)-4-acetyl-1-(2-hydroxyethyl)-2-keto-5-(2-nitrophenyl)-3-pyrrolin-3-olate (5S)-4-acetyl-1-(2-hydroxyethyl)…
| 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) | 0.05 | 3.11 | -59.63 | 1 | 8 | -1 | 126 | 305.266 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | -2.58 | -24.33 | 2 | 8 | 0 | 123 | 306.274 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.53 | -2.44 | -21.41 | 1 | 8 | 0 | 120 | 306.274 | 5 | ↓ |
