| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2010 | 19 | Yes |
Popular Name: 4-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-2-carboxamide 4-oxo-N-(1,3,4-thiadiazol-2-yl)-…
| 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) | 0.72 | 3.99 | -16.66 | 2 | 6 | 0 | 88 | 272.289 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 0.73 | -114.37 | 0 | 6 | -2 | 97 | 270.273 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 2.21 | -44.82 | 1 | 6 | -1 | 94 | 271.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.02 | 2.64 | -53.5 | 1 | 6 | -1 | 91 | 271.281 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
