UCSF

ZINC33963834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 17 Yes

Popular Name: 1-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine 1-(6-Chloro-5-(trifluoromethyl)p…

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CAS Numbers: 132834-56-1 , 210821-63-9 , [132834-56-1]

Download: MOL2 SDF SMILES Flexibase

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) 2.30 5.28 -48.84 2 3 1 33 266.674 2 ↓
Hi High (pH 8-9.5) 2.30 3.97 -5.74 1 3 0 28 265.666 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 76 - 78 KeyOrganics
MP 76-78° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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