UCSF

ZINC52508084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: 6-cyclopropyl-1-methyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-3-amine 6-cyclopropyl-1-methyl-4-(triflu…

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CAS Number: 1242267-97-5

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) 2.03 5.79 -6.28 2 4 0 57 256.231 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 114 - 116 KeyOrganics
MP 114-116° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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