| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 20 | Yes |
Popular Name: N-[[4-(4-isobutylpiperazin-1-yl)-2-pyridyl]methyl]ethanamine N-[[4-(4-isobutylpiperazin-1-yl)…
| 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) | 2.16 | 8.16 | -176.74 | 4 | 4 | 3 | 38 | 279.452 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 4.87 | -26.89 | 2 | 4 | 1 | 33 | 277.436 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.16 | 6.8 | -84.96 | 3 | 4 | 2 | 34 | 278.444 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
