UCSF

ZINC17968619

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 28 Yes

Popular Name: WUWEIZISU C WUWEIZISU C

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61301-33-5 , [61301-33-5]

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) 5.05 7.78 -10.5 0 6 0 55 384.428 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50677-2-O Human Immunodeficiency Virus (cluster #2 Of 3), Other Other 3100 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 3100 0.28 Functional ≤ 10μM

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