| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2009 | 31 | Yes |
Popular Name: 6-(butanoylamino)-2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1-yl]quinoline-4-carboxylic 6-(butanoylamino)-2-[4-[2-(dimet…
| 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) | 1.58 | 7.73 | -39.81 | 2 | 9 | 0 | 110 | 427.505 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.58 | 5.32 | -58.9 | 1 | 9 | -1 | 109 | 426.497 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.58 | 7.8 | -103.2 | 3 | 9 | 1 | 111 | 428.513 | 7 | ↓ |
