| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | Yes |
Popular Name: 5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyridin-2-amine 5-[4-(3,3-dimethylbutyl)piperazi…
| 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) | 2.66 | 7.2 | -85.7 | 4 | 4 | 2 | 48 | 264.417 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.74 | -40.98 | 3 | 4 | 1 | 47 | 263.409 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.54 | -4.79 | 2 | 4 | 0 | 45 | 262.401 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 5.01 | -27.82 | 3 | 4 | 1 | 47 | 263.409 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
