UCSF

ZINC20358106

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 10 Yes

Popular Name: 7-Chloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine 7-Chloro-3H-[1,2,3]triazolo[4,5-…

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CAS Numbers: 23002-52-0 , [23002-52-0]

Other Names:

MFCD08061292

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) 0.48 1.02 -32.87 0 5 -1 66 154.54 0 ↓
Ref Reference (pH 7) 0.48 1.33 -32.41 0 5 -1 66 154.54 0 ↓
Lo Low (pH 4.5-6) 0.48 1.23 -7.43 1 5 0 67 155.548 0 ↓
Lo Low (pH 4.5-6) 0.48 1.23 -6.78 1 5 0 67 155.548 0 ↓
Lo Low (pH 4.5-6) 0.48 1.34 -6.56 1 5 0 67 155.548 0 ↓

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

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