| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-pyrimidin-2-amine 4-(3,4-dihydro-2H-1,5-benzodioxe…
| 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) | 1.71 | 6.12 | -10.78 | 2 | 5 | 0 | 70 | 257.293 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 6.5 | -31.7 | 3 | 5 | 1 | 72 | 258.301 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.71 | 6.55 | -35.2 | 3 | 5 | 1 | 72 | 258.301 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
