| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propan-2-amine 2-[1-(3,4-dihydro-2H-1,5-benzodi…
| 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) | 1.55 | 3.49 | -59.09 | 3 | 6 | 1 | 77 | 275.332 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.55 | 3.22 | -11.55 | 2 | 6 | 0 | 75 | 274.324 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
