| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 29th, 2011 | 18 | Yes |
Popular Name: (3S)-3-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-1-yl]butanenitrile (3S)-3-[4-[(5-methylisoxazol-3-y…
| 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) | 0.36 | 3 | -11.98 | 0 | 5 | 0 | 56 | 248.33 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 4.98 | -45.75 | 1 | 5 | 1 | 57 | 249.338 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 5.27 | -43.42 | 1 | 5 | 1 | 57 | 249.338 | 4 | ↓ |
