| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2011 | 20 | Yes |
Popular Name: 2-[4-[3-(aminomethyl)-6-methyl-2-pyridyl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[3-(aminomethyl)-6-methyl-2…
| 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) | 0.25 | 5.03 | -160.61 | 5 | 5 | 3 | 53 | 280.44 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 2.11 | -47.88 | 3 | 5 | 1 | 50 | 278.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 4.58 | -92.87 | 4 | 5 | 2 | 51 | 279.432 | 5 | ↓ |
