| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 33 | No |
Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-2-keto-1-(5-methylisoxazol-3-yl)-4-p-anisoyl-3-pyrrolin-3-olate (5S)-5-(3,4-dimethoxyphenyl)-2-k…
| 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) | 2.61 | 8.09 | -55.98 | 0 | 9 | -1 | 114 | 449.439 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.4 | -27.56 | 1 | 9 | 0 | 111 | 450.447 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 8.37 | -19.61 | 0 | 9 | 0 | 108 | 450.447 | 7 | ↓ |
