UCSF

ZINC01385059

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 27 Yes

Popular Name: ethyl 1-ethyl-4-[(4-methoxybenzyl)amino]-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ethyl 1-ethyl-4-[(4-methoxybenzy…

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CAS Number: 860785-52-0

Other Names:

MFCD04124528

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.82 1.06 -37.75 2 7 1 79 369.445 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 100 KeyOrganics

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Rings

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

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