| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | Yes |
Popular Name: N-[[5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[(4-ethylpiperazin-1-yl)me…
| 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) | 1.65 | 5.86 | -90.12 | 3 | 5 | 2 | 50 | 282.432 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 3.58 | -42.98 | 2 | 5 | 1 | 49 | 281.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 5.85 | -99.51 | 3 | 5 | 2 | 50 | 282.432 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
