UCSF

ZINC13555565

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 19 No

Popular Name: N-(3,4-dichlorophenyl)-2,3-dihydroxy-benzamide N-(3,4-dichlorophenyl)-2,3-dihyd…

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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) 3.90 3.61 -13.89 3 4 0 70 298.125 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 9500 0.37 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 9500 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SP0F_BACSU P06628 Sporulation Initiation Phosphotransferase F, Bacsu 9500 0.37 Functional ≤ 10μM
KINA_BACSU P16497 Sporulation Kinase A, Bacsu 9500 0.37 Functional ≤ 10μM

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