UCSF

ZINC13677462

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 Yes

Popular Name: 5-chloro-2-[(9-oxofluorene-4-carbonyl)amino]benzoic 5-chloro-2-[(9-oxofluorene-4-car…

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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) 4.76 9.87 -50.16 1 5 -1 86 376.775 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACPS-1-B Holo-[acyl-carrieir-protein] Synthase (cluster #1 Of 1), Bacterial Bacteria 820 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACPS_BACSU P96618 Holo-[acyl-carrieir-protein] Synthase, Bacsu 820 0.32 Binding ≤ 1μM
ACPS_BACSU P96618 Holo-[acyl-carrieir-protein] Synthase, Bacsu 820 0.32 Binding ≤ 10μM

Rings

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

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