| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 22 | Yes |
Popular Name: N-(4-methyl-5-methylsulfanyl-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide N-(4-methyl-5-methylsulfanyl-thi…
| 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) | 1.52 | 6.84 | -17.26 | 2 | 5 | 0 | 75 | 331.422 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 6.59 | -47.5 | 1 | 5 | -1 | 78 | 330.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
