| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | Yes |
Popular Name: 3,3-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butan-1-amine 3,3-dimethyl-N-[2-(4-pyrimidin-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) | 2.05 | 7.92 | -45.31 | 2 | 5 | 1 | 49 | 292.451 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 10.11 | -124.04 | 3 | 5 | 2 | 50 | 293.459 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
