In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 16 | No |
Popular Name: 5-(2,3-dihydro-1,4-benzodioxin-8-yl)-1,3,4-oxadiazole-2-thiol 5-(2,3-dihydro-1,4-benzodioxin-8…
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) | 2.01 | 0.49 | -46.13 | 0 | 5 | -1 | 57 | 235.244 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 1.06 | -9.96 | 1 | 5 | 0 | 60 | 236.252 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.