UCSF

ZINC18037171

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

Popular Name: 1-(p-tolyl)-N-[4-[4-(p-tolylmethyleneamino)phenyl]disulfanylphenyl]methanimine 1-(p-tolyl)-N-[4-[4-(p-tolylmeth…

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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) 8.31 17.96 -9.02 0 2 0 25 452.648 7 ↓
Lo Low (pH 4.5-6) 8.31 16.84 -41.67 1 2 1 26 453.656 7 ↓
Lo Low (pH 4.5-6) 8.31 17.62 -38.7 1 2 1 26 453.656 7 ↓
Lo Low (pH 4.5-6) 8.31 17.53 -36.5 1 2 1 26 453.656 7 ↓
Lo Low (pH 4.5-6) 8.31 16.9 -39.02 1 2 1 26 453.656 7 ↓
Lo Low (pH 4.5-6) 8.31 18.31 -36.27 1 2 1 26 453.656 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 27 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 26.8 0.33 Functional ≤ 10μM

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

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