UCSF

ZINC18169531

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 32 No

Popular Name: 1-(4-chlorophenyl)-N-[4-[4-[(4-chlorophenyl)methyleneamino]phenyl]disulfanylphenyl]methanimine 1-(4-chlorophenyl)-N-[4-[4-[(4-c…

Find On: PubMed — Wikipedia — Google

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) 8.60 17.65 -8.78 0 2 0 25 493.484 7 ↓
Lo Low (pH 4.5-6) 8.60 17.22 -42.1 1 2 1 26 494.492 7 ↓
Lo Low (pH 4.5-6) 8.60 17.31 -43.93 1 2 1 26 494.492 7 ↓
Lo Low (pH 4.5-6) 8.60 16.59 -44.51 1 2 1 26 494.492 7 ↓
Lo Low (pH 4.5-6) 8.60 17.99 -41.56 1 2 1 26 494.492 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 23 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 23.4 0.33 Functional ≤ 10μM

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

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