UCSF

ZINC48995292

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 Yes

Popular Name: (2S,3R,4S,5R)-2-(5-amino-7-hydroxy-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3 (2S,3R,4S,5R)-2-(5-amino-7-hydro…

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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 -7.75 -27.96 6 11 0 172 284.232 2 ↓

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% )