UCSF

ZINC62526686

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 16 Yes

Popular Name: 8-piperazin-1-yl-1,2,3,4-tetrahydroquinoline 8-piperazin-1-yl-1,2,3,4-tetrahy…

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Physical Representations

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) 1.66 5.37 -40.09 3 3 1 32 218.324 1 ↓
Hi High (pH 8-9.5) 1.66 4.13 -2.82 2 3 0 27 217.316 1 ↓
Mid Mid (pH 6-8) 1.66 5.89 -95.03 4 3 2 36 219.332 1 ↓
Lo Low (pH 4.5-6) 1.66 5.46 -111.62 4 3 2 33 219.332 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5424313 IBM Patent Data

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.