| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 30 | No |
Popular Name: (5S)-1-benzyl-4-(2-furoyl)-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate (5S)-1-benzyl-4-(2-furoyl)-2-ket…
| 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) | 2.97 | 10.48 | -55.23 | 0 | 8 | -1 | 119 | 403.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 1.2 | -30.56 | 1 | 8 | 0 | 116 | 404.378 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 1.42 | -19.89 | 0 | 8 | 0 | 113 | 404.378 | 6 | ↓ |
