In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 2011 | 19 | Yes |
Popular Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)triazol-4-yl]propan-2-amine 2-[1-(2,3-dihydro-1,4-benzodioxi…
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) | 1.28 | 2.69 | -57.81 | 3 | 6 | 1 | 77 | 261.305 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 2.43 | -11.4 | 2 | 6 | 0 | 75 | 260.297 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.