| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 15 | Yes |
Popular Name: 5-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-isoxazole 5-[(4-ethylpiperazin-1-yl)methyl…
| 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) | 0.95 | 4.31 | -39.52 | 1 | 4 | 1 | 34 | 210.301 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.95 | 2.03 | -6.82 | 0 | 4 | 0 | 33 | 209.293 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
