| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 23 | No |
Popular Name: 8-fluoro-4-hydroxy-N-(5-nitrothiazol-2-yl)quinoline-3-carboxamide 8-fluoro-4-hydroxy-N-(5-nitrothi…
| 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) | 0.85 | 5.51 | -51.61 | 1 | 8 | -1 | 127 | 333.28 | 3 | ↓ |
| Ref Reference (pH 7) | 2.15 | 1.72 | -34.21 | 1 | 8 | -1 | 127 | 333.28 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 3.27 | -93.34 | 0 | 8 | -2 | 130 | 332.272 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 6.01 | -47.25 | 1 | 8 | -1 | 124 | 333.28 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 3.82 | -18.49 | 2 | 8 | 0 | 124 | 334.288 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 6.21 | -12.93 | 2 | 8 | 0 | 121 | 334.288 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
