UCSF

ZINC01706757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 Yes

Popular Name: 4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol hydrochloride 4-(1-methyl-1,2,3,6-tetrahydropy…

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CAS Numbers: , 5233-54-5

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) 1.85 5.42 -38.62 2 2 1 25 190.266 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHPR-1-E Dihydropteridine Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 2800 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DHPR_HUMAN P09417 Dihydropteridine Reductase, Human 2800 0.56 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Phenylalanine and tyrosine catabolism

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