| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 18 | Yes |
Popular Name: N-[[5-[(4-ethylpiperazin-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine 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) | 0.91 | 4.47 | -84.17 | 3 | 5 | 2 | 50 | 254.378 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.91 | 0.82 | -5.17 | 1 | 5 | 0 | 45 | 252.362 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 2.2 | -41.26 | 2 | 5 | 1 | 49 | 253.37 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 4.47 | -96.98 | 3 | 5 | 2 | 50 | 254.378 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
