UCSF

ZINC06493705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 14 No

Popular Name: 3-amino-5,6-dimethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one 3-amino-5,6-dimethyl-2-sulfanylt…

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Other Names:

MFCD03861226

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) 0.78 3.96 -9.68 3 4 0 64 227.314 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104304-3-O Adrenergic Receptor Alpha-1 (cluster #3 Of 3), Other Other 50 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 50 0.73 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 50 0.73 Binding ≤ 10μM

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

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