UCSF

ZINC18085270

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 22 No

Popular Name: ethyl ethyl

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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) 1.91 5.84 -8.31 1 7 0 94 364.155 4 ↓
Hi High (pH 8-9.5) 1.91 5.7 -32.6 0 7 -1 92 363.147 4 ↓
Mid Mid (pH 6-8) 1.91 5.68 -32.73 0 7 -1 92 363.147 4 ↓
Mid Mid (pH 6-8) 1.91 5.81 -8.65 1 7 0 94 364.155 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-1-E Dual Specificity Protein Phosphatase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 2640 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DUS3_HUMAN P51452 Dual Specificity Protein Phosphatase 3, Human 2640 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERKs are inactivated

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

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