In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 32 | Yes |
Popular Name: 2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]quinoline-4-carboxylic 2-[2-[4-[3-(trifluoromethyl)phen…
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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) | 4.43 | 9.88 | -77.53 | 2 | 6 | 0 | 73 | 444.457 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 7.5 | -54.14 | 1 | 6 | -1 | 72 | 443.449 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 7.95 | -55.07 | 2 | 6 | 0 | 73 | 444.457 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 10.33 | -109.88 | 3 | 6 | 1 | 74 | 445.465 | 7 | ↓ |