UCSF

ZINC40834253

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 15 No

Popular Name: [(E)-(5-chloroindan-1-ylidene)amino]thiourea [(E)-(5-chloroindan-1-ylidene)am…

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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) 2.34 6 -10.44 3 3 0 50 239.731 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100497-3-O Bovine Viral Diarrhea Virus (cluster #3 Of 3), Other Other 8800 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z100497 Z100497 Bovine Viral Diarrhea Virus 8800 0.47 Functional ≤ 10μM

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

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