| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2011 | 27 | Yes |
Popular Name: N-[[4-(diethylaminomethyl)thiazol-2-yl]methyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide N-[[4-(diethylaminomethyl)thiazo…
| 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) | 1.28 | 6.76 | -37.4 | 3 | 6 | 1 | 79 | 389.476 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 4.6 | -11.84 | 2 | 6 | 0 | 78 | 388.468 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 3.9 | -59.26 | 1 | 6 | -1 | 81 | 387.46 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
