UCSF

ZINC03089073

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 33 No

Popular Name: (2S)-N-[(E)-(4-nitrobenzylidene)amino]-3-phenyl-2-(tosylamino)propionamide (2S)-N-[(E)-(4-nitrobenzylidene)…

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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) 4.28 9.47 -24.39 2 9 0 133 466.519 9 ↓

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 6640 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50609 Z50609 Simian Immunodeficiency Virus 6640 0.22 Functional ≤ 10μM

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

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