UCSF

ZINC06567955

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 20 Yes

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) 4.00 -2.67 -9.87 3 3 0 55 329.614 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-10-O Human Immunodeficiency Virus 1 (cluster #10 Of 10), Other Other 400 0.45 Functional ≤ 10μM
Z80295-7-O MT4 (Lymphocytes) (cluster #7 Of 8), Other Other 400 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 400 0.45 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 400 0.45 Functional ≤ 10μM

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