UCSF

ZINC36475277

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 27 No

Popular Name: 6-(trioxoBLAHyl)hexanehydroxamic 6-(trioxoBLAHyl)hexanehydroxamic

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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) 2.40 4.95 -30.42 2 7 0 104 388.445 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80928-3-O HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other Other 150 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80928 Z80928 HCT-116 (Colon Carcinoma Cells) 150 0.35 Functional ≤ 10μM

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