| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2008 | 21 | Yes |
Popular Name: 4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-isoxazole 4-[(2S)-1-[(1,3-dimethylpyrazol-…
| 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) | 1.75 | 8.03 | -44.37 | 1 | 5 | 1 | 48 | 289.403 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 6.15 | -9.88 | 0 | 5 | 0 | 47 | 288.395 | 4 | ↓ |
