UCSF

ZINC36177752

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 27 No

Popular Name: 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile 2-(2,4,7-trinitrofluoren-9-ylide…

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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) 3.33 11.43 -9.3 0 11 0 185 363.245 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPRT-3-E Hypoxanthine-guanine Phosphoribosyltransferase (cluster #3 Of 3), Eukaryotic Eukaryotes 5400 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HPRT_HUMAN P00492 Hypoxanthine-guanine Phosphoribosyltransferase, Human 2200 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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