UCSF

ZINC17821619

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 30 No

Popular Name: N-[4-[4-(benzylideneamino)phenyl]disulfanylphenyl]-1-phenyl-methanimine N-[4-[4-(benzylideneamino)phenyl…

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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) 7.47 16.61 -9.05 0 2 0 25 424.594 7 ↓
Lo Low (pH 4.5-6) 7.47 15.5 -41.93 1 2 1 26 425.602 7 ↓
Lo Low (pH 4.5-6) 7.47 16.18 -36.55 1 2 1 26 425.602 7 ↓
Lo Low (pH 4.5-6) 7.47 16.26 -38.86 1 2 1 26 425.602 7 ↓
Lo Low (pH 4.5-6) 7.47 16.95 -36.28 1 2 1 26 425.602 7 ↓
Lo Low (pH 4.5-6) 7.47 15.54 -39.17 1 2 1 26 425.602 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-4-O Human Immunodeficiency Virus 1 (cluster #4 Of 10), Other Other 33 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 33.3 0.35 Functional ≤ 10μM

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

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