In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2010 | 20 | Yes |
Popular Name: 1-(cyanomethyl)-N-(1,3,4-thiadiazol-2-yl)indole-3-carboxamide 1-(cyanomethyl)-N-(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) | 1.55 | 6.53 | -30.07 | 1 | 6 | 0 | 84 | 283.316 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.62 | 4.98 | -57.16 | 0 | 6 | -1 | 90 | 282.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.