UCSF

ZINC01385057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 18 Yes

Popular Name: ethyl 4-chloro-1-ethyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ethyl 4-chloro-1-ethyl-3-methyl-…

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CAS Number: 37801-47-1

Other Names:

MFCD04124526

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) 2.19 6.95 -6.85 0 5 0 57 267.716 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 79 - 80 KeyOrganics

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Rings

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