| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 20 | Yes |
Popular Name: N-[[5-[(4-tert-butylpiperazin-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(4-tert-butylpiperazin-1-…
| 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) | 1.72 | 5.14 | -86.91 | 3 | 5 | 2 | 50 | 282.432 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 3.01 | -41.85 | 2 | 5 | 1 | 49 | 281.424 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
