UCSF

ZINC14007884

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 18 Yes

Popular Name: 3-(4-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol 3-(4-chlorobenzyl)-3H-[1,2,3]tri…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132269-53-5 , [132269-53-5]

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) 1.93 4.05 -39.75 0 6 -1 80 260.664 2 ↓
Mid Mid (pH 6-8) 1.47 5.17 -21.13 1 6 0 76 261.672 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.830000000000000e+002 KeyOrganics KeyOrganics
MP 183° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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