UCSF

ZINC13799665

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 27 No

Popular Name: V-165 V-165

Find On: PubMed — Wikipedia — Google

Other Names:

DNC001493

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) 1.52 0.41 -73.36 2 10 -2 159 401.385 2 ↓
Mid Mid (pH 6-8) 1.06 1.45 -36.34 3 10 -1 155 402.393 2 ↓
Lo Low (pH 4.5-6) 0.60 2.51 -31.33 4 10 0 152 403.401 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 8900 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 8900 0.26 Functional ≤ 10μM

Rings

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

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