| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 32 | No |
Popular Name: (5S)-2-keto-5-(4-nitrophenyl)-4-p-toluoyl-1-(3-pyridylmethyl)-3-pyrrolin-3-olate (5S)-2-keto-5-(4-nitrophenyl)-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) | 2.95 | 11.07 | -60.23 | 0 | 8 | -1 | 119 | 428.424 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.39 | 0.27 | -34.62 | 1 | 8 | 0 | 116 | 429.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 0.49 | -27.78 | 0 | 8 | 0 | 113 | 429.432 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.36 | 0.6 | -65.92 | 1 | 8 | 1 | 114 | 430.44 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.39 | 0.38 | -62.87 | 2 | 8 | 1 | 118 | 430.44 | 5 | ↓ |
