| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | Yes |
Popular Name: 1-(3-methylbut-2-enyl)-N-[2-(1-piperidyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[2-(1-p…
| 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) | 3.13 | 8.04 | -115.64 | 3 | 3 | 2 | 24 | 281.488 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 9.14 | -81.65 | 3 | 3 | 2 | 21 | 281.488 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 5.83 | -38.29 | 2 | 3 | 1 | 23 | 280.48 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.13 | 10.29 | -200.52 | 4 | 3 | 3 | 25 | 282.496 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
