| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | Yes |
Popular Name: N-[[5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl]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) | 1.41 | 5.22 | -85.36 | 3 | 5 | 2 | 50 | 268.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 2.95 | -42.08 | 2 | 5 | 1 | 49 | 267.397 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 5.22 | -98.43 | 3 | 5 | 2 | 50 | 268.405 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
