UCSF

ZINC35570040

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 12 Yes

Popular Name: (5-(Trifluoromethyl)pyridin-3-yl)methanamine (5-(Trifluoromethyl)pyridin-3-yl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1332529-79-9 , 766513-53-5 , [766513-53-5]

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) 0.76 1.7 -51.43 3 2 1 41 177.149 2 ↓
Mid Mid (pH 6-8) 0.76 1.3 -3.8 2 2 0 39 176.141 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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