UCSF

ZINC16677228

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 32 No

Popular Name: 4-({2-[(2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenyl benzoate 4-({2-[(2-chlorophenyl)imino]-4-…

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Other Names:

MFCD01926833

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) 6.73 12.93 -17.2 1 6 0 81 464.93 6 ↓
Ref Reference (pH 7) 6.73 12.61 -17.68 1 6 0 81 464.93 6 ↓
Hi High (pH 8-9.5) 7.19 10.84 -54.67 0 6 -1 84 463.922 6 ↓
Hi High (pH 8-9.5) 7.19 11.4 -51.89 0 6 -1 84 463.922 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1950 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHI1_HUMAN P28845 11-beta-hydroxysteroid Dehydrogenase 1, Human 1950 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glucocorticoid biosynthesis

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