UCSF

ZINC20219276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 Yes

Popular Name: ethyl 1-ethyl-3-methyl-4-{[4-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ethyl 1-ethyl-3-methyl-4-{[4-(tr…

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CAS Number: 860785-58-6

Other Names:

MFCD04124533

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) 3.66 10.59 -8.47 1 6 0 69 406.408 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 132 - 133 KeyOrganics

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

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