| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 16 | Yes |
Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-N,1-dimethyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…
| 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) | 0.68 | 3.16 | -30.74 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.66 | -32.9 | 3 | 3 | 1 | 34 | 226.388 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 4 | -103.11 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 5.85 | -214.82 | 5 | 3 | 3 | 37 | 228.404 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 3.47 | -120.54 | 4 | 3 | 2 | 35 | 227.396 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
