In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 18 | No |
Popular Name: 2-(cyanomethylsulfanyl)-N-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acetamide 2-(cyanomethylsulfanyl)-N-[5-(2-…
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) | 1.20 | 4.75 | -26.81 | 1 | 6 | 0 | 92 | 280.334 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 3.28 | -49.33 | 0 | 6 | -1 | 98 | 279.326 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.