In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2008 | 17 | Yes |
Popular Name: 7-Bromo-4-(piperazin-1-yl)quinoline 7-Bromo-4-(piperazin-1-yl)quinoline
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CAS Number: 927800-44-0
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) | 2.36 | 4.88 | -96.33 | 3 | 3 | 2 | 34 | 294.196 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.46 | -32.57 | 2 | 3 | 1 | 29 | 293.188 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.36 | 3.07 | -5.37 | 1 | 3 | 0 | 28 | 292.18 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 4.49 | -52.55 | 2 | 3 | 1 | 33 | 293.188 | 1 | ↓ |