UCSF

ZINC31342701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 20 Yes

Popular Name: 7H-1,2,3-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,4-dihydro-3-beta-D-ribofuranosyl-; 7H-v-Triazolo(4,5-d)pyrimidin-7-one, 5-amino-3,6-dihydro-3-beta-D-ribofuranosyl; 8-Azaguanosine; Azaguanosine; BRN 0046037; LS-156823; NSC 130283; NSC 46788 7H-1,2,3-Triazolo(4,5-d)pyrimidi…

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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) -2.16 -7.98 -23.18 6 11 0 172 284.232 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4347315; US4381344; US4543255; US4728736; US6143443; WO1996035239A1; WO2000075158A2; WO2000078941A2 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80945-3-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #3 Of 4), Other Other 2000 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80945 Z80945 HEp-2 (Laryngeal Carcinoma Cells) 2000 0.40 Functional ≤ 10μM

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