| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 10th, 2004 | 32 | No |
Popular Name: (5S)-2-keto-5-(3-nitrophenyl)-1-phenyl-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate (5S)-2-keto-5-(3-nitrophenyl)-1-…
| 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) | 4.38 | 13.1 | -53.38 | 0 | 7 | -1 | 106 | 425.42 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 12.29 | -24.45 | 1 | 7 | 0 | 103 | 426.428 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 13.04 | -18.97 | 0 | 7 | 0 | 100 | 426.428 | 6 | ↓ |
