UCSF

ZINC00075209

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 26 Yes

Popular Name: 3-(9-oxofluoren-1-yl)carbonylaminobenzoic 3-(9-oxofluoren-1-yl)carbonylami…

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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) 3.95 0.71 -86.75 1 5 -1 86 342.33 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CYAA-1-B Calmodulin-sensitive Adenylate Cyclase (cluster #1 Of 1), Bacterial Bacteria 1834 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CYAA_BACAN P40136 Calmodulin-sensitive Adenylate Cyclase, Bacan 1700 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Uptake and function of anthrax toxins

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

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