In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 21 | Yes |
Popular Name: 6-fluoro-3-[(4-methylpiperazin-1-yl)carbonyl]quinolin-4-ol 6-fluoro-3-[(4-methylpiperazin-1…
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CAS Numbers: 914658-84-7 , [914658-84-7]
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) | -1.34 | 3.03 | -44.98 | 1 | 5 | 0 | 56 | 289.31 | 1 | ↓ |
Hi High (pH 8-9.5) | -0.04 | 2.62 | -49.54 | 0 | 5 | -1 | 59 | 288.302 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 5.41 | -82.24 | 2 | 5 | 1 | 58 | 290.318 | 1 | ↓ |