| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 20 | Yes |
Popular Name: N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]pentan-3-amine N-[2-[4-(2-pyridyl)piperazin-1-y…
| 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) | 2.56 | 7.02 | -78.91 | 3 | 4 | 2 | 37 | 278.444 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 6.68 | -41.2 | 2 | 4 | 1 | 36 | 277.436 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.56 | 9.23 | -188.9 | 4 | 4 | 3 | 38 | 279.452 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
