UCSF

ZINC01633537

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 28 No

Popular Name: N-[(3S,4S)-3-chloro-2-keto-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]-2-hydroxy-benzamide N-[(3S,4S)-3-chloro-2-keto-4-(3,…

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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) 1.60 -1.31 -17.31 2 8 0 97 406.822 6 ↓

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 4400 0.27 Functional ≤ 10μM
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 4400 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 4400 0.27 Functional ≤ 10μM
Z50677 Z50677 Human Immunodeficiency Virus 4400 0.27 Functional ≤ 10μM

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

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