UCSF

ZINC00088684

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 No

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) 3.66 1.77 -9.47 0 4 0 41 328.799 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 7600 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABH_ECOLI P0A6R0 3-oxoacyl-[acyl-carrier-protein] Synthase 3, Ecoli 7600 0.31 Binding ≤ 10μM

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