| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | Yes |
Popular Name: 3,3-dimethyl-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]butan-1-amine 3,3-dimethyl-N-[2-[4-(2-pyridyl)…
| 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) | 2.44 | 7.47 | -82.67 | 3 | 4 | 2 | 37 | 292.471 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 7.15 | -44.64 | 2 | 4 | 1 | 36 | 291.463 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 9.68 | -192.57 | 4 | 4 | 3 | 38 | 293.479 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
