| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2011 | 23 | Yes |
Popular Name: (4-but-3-ynylpiperazin-1-yl)-(3,6-dimethylisoxazolo[5,4-b]pyridin-4-yl)methanone (4-but-3-ynylpiperazin-1-yl)-(3,…
| 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) | 0.71 | 3.51 | -12.89 | 0 | 6 | 0 | 62 | 312.373 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.71 | 5.73 | -61.21 | 1 | 6 | 1 | 64 | 313.381 | 3 | ↓ |
