| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 25 | Yes |
Popular Name: 7-(butylaminomethyl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic 7-(butylaminomethyl)-1-cycloprop…
| 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) | 0.99 | 9.89 | -97.78 | 2 | 5 | 0 | 79 | 350.365 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 8.48 | -60.06 | 1 | 5 | -1 | 74 | 349.357 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 9 | -80.31 | 3 | 5 | 1 | 82 | 351.373 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 7.59 | -25.22 | 2 | 5 | 0 | 77 | 350.365 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 8.83 | -53.83 | 3 | 5 | 1 | 76 | 351.373 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
