UCSF

ZINC05639980

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 32 No

Popular Name: 17,17,17-Trifluorocolchicine; BRN 3021687; Colchicine, 17,17,17-trifluoro-; LS-54692; N-Deacetyl-N-(trifluoroacetyl)colchicine; NSC 305987 17,17,17-Trifluorocolchicine; BR…

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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) 1.99 4.13 -19.02 1 7 0 83 453.413 6 ↓

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 7 0.36 Functional ≤ 10μM
Z80897-1-O H9 (T-lymphoid Cells) (cluster #1 Of 2), Other Other 9 0.35 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 6.6 0.36 Functional ≤ 10μM
Z80897 Z80897 H9 (T-lymphoid Cells) 8.8 0.35 ADME/T ≤ 10μM

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