In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 23 | Yes |
Popular Name: 4-(3-fluorophenyl)-2-piperazinoquinoline 4-(3-fluorophenyl)-2-piperazinoq…
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CAS Number: 1228183-75-2
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) | 3.85 | 9.65 | -45.91 | 2 | 3 | 1 | 33 | 308.38 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.85 | 8.36 | -7.58 | 1 | 3 | 0 | 28 | 307.372 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.85 | 9.96 | -97.7 | 3 | 3 | 2 | 34 | 309.388 | 2 | ↓ |