In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 18 | Yes |
Popular Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)imidazo[1,2-a]pyridine-3-carboxylic 2-(1H-1,2,4-triazol-5-ylsulfanyl…
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) | 1.31 | 5.65 | -55.89 | 1 | 7 | -1 | 99 | 260.258 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 5.3 | -116.31 | 0 | 7 | -2 | 97 | 259.25 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.31 | 6.01 | -45.47 | 2 | 7 | 0 | 100 | 261.266 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.