In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2008 | 18 | No |
Popular Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide N-(5-allylsulfanyl-1,3,4-thiadia…
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) | 1.50 | 2.51 | -50.08 | 0 | 6 | -1 | 80 | 284.342 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 4.2 | -18.44 | 1 | 6 | 0 | 73 | 285.35 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.