| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 19 | Yes |
Popular Name: 2-(1H-1,2,4-triazol-5-ylsulfanyl)quinoline-4-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) | 2.16 | 7.44 | -48.19 | 1 | 6 | -1 | 95 | 271.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 7.05 | -96.28 | 0 | 6 | -2 | 93 | 270.273 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
