UCSF

ZINC09973374

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 26 No

Popular Name: N-[1-(benzylideneaminocarbamoyl)-2-methyl-propyl]-4-methoxy-benzamide N-[1-(benzylideneaminocarbamoyl)…

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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) 3.37 -1.2 -12.64 2 6 0 79 353.422 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50609-1-O Simian Immunodeficiency Virus (cluster #1 Of 2), Other Other 4080 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 4080 0.29 Functional ≤ 10μM

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