| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 21 | Yes |
Popular Name: 3-[2-(azepan-1-yl)-4,6-dimethyl-pyrimidin-5-yl]-N-ethyl-propan-1-amine 3-[2-(azepan-1-yl)-4,6-dimethyl-…
| 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) | 3.48 | 11.32 | -45.15 | 2 | 4 | 1 | 46 | 291.463 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.48 | 11.63 | -85.46 | 3 | 4 | 2 | 47 | 292.471 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
