UCSF

ZINC17889010

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 15 No

Popular Name: 2-{[4-(dimethylamino)phenyl]methylene}-1-hydrazinecarbothioamide 2-{[4-(dimethylamino)phenyl]meth…

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CAS Numbers: 2929-81-9 , [2929-81-9]

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) 1.99 4.89 -11.53 3 4 0 54 222.317 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-4-O Hepatitis C Virus (cluster #4 Of 5), Other Other 1710 0.54 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 1120 0.56 Functional ≤ 10μM

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