UCSF

ZINC00024727

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 12 No

Popular Name: 1-(2-furylmethyl)-1H-imidazole-2-thiol 1-(2-furylmethyl)-1H-imidazole-2…

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Other Names:

MFCD00874733

MFCD00877646

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) 0.83 5.85 -20.86 1 3 0 34 180.232 2 ↓
Mid Mid (pH 6-8) -2.18 1.09 -30.75 1 3 1 32 181.24 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DOPO-1-E Dopamine Beta-hydroxylase (cluster #1 Of 2), Eukaryotic Eukaryotes 6300 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DOPO_BOVIN P15101 Dopamine Beta-hydroxylase, Bovin 6300 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Catecholamine biosynthesis

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

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