UCSF

ZINC45336265

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 28 No

Popular Name: N-[(1S,2S)-1-[[(E)-(4-chlorophenyl)methyleneamino]carbamoyl]-2-methyl-butyl]-4-methoxy-benzamide N-[(1S,2S)-1-[[(E)-(4-chlorophen…

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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) 4.55 8.33 -13.08 2 6 0 80 401.894 8 ↓

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 8100 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 8100 0.25 Functional ≤ 10μM

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