UCSF

ZINC01384764

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Substance Information

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

Popular Name: N~5~-(4-chlorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-4,5-diamine N~5~-(4-chlorophenyl)-5H-pyrazol…

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CAS Number: 338403-44-4

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) 1.83 -1.85 -25.42 3 6 0 81 260.688 2 ↓
Lo Low (pH 4.5-6) 1.83 -1.73 -54.52 4 6 1 82 261.696 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 220 - 222 KeyOrganics

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Rings

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

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