| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 15 | Yes |
Popular Name: [5-[(4-methylpiperazin-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(4-methylpiperazin-1-yl)meth…
| 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) | -0.22 | 1 | -95.01 | 4 | 5 | 2 | 61 | 212.297 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.22 | -1.78 | -7.72 | 2 | 5 | 0 | 59 | 210.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | -1.37 | -49.02 | 3 | 5 | 1 | 60 | 211.289 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 0.89 | -101.9 | 4 | 5 | 2 | 61 | 212.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
