| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 17 | Yes |
Popular Name: [5-[(4-propylpiperazin-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(4-propylpiperazin-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) | 0.66 | 2.42 | -95.39 | 4 | 5 | 2 | 61 | 240.351 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.66 | -0.25 | -6.03 | 2 | 5 | 0 | 59 | 238.335 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 0.16 | -48.7 | 3 | 5 | 1 | 60 | 239.343 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 2.43 | -102.66 | 4 | 5 | 2 | 61 | 240.351 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
