UCSF

ZINC18059350

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 36 No

Popular Name: 4-[(E)-[4-[4-[(4-dimethylaminophenyl)methyleneamino]phenyl]disulfanylphenyl]iminomethyl]-N,N-dimethy 4-[(E)-[4-[4-[(4-dimethylaminoph…

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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) 7.67 17.41 -11.05 0 4 0 31 510.732 9 ↓
Lo Low (pH 4.5-6) 7.67 17 -35.79 1 4 1 33 511.74 9 ↓
Lo Low (pH 4.5-6) 7.67 17.07 -37.83 1 4 1 33 511.74 9 ↓
Lo Low (pH 4.5-6) 7.67 16.37 -38.02 1 4 1 33 511.74 9 ↓
Lo Low (pH 4.5-6) 7.67 17.76 -35.84 1 4 1 33 511.74 9 ↓

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 25 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 25 0.30 Functional ≤ 10μM

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

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