UCSF

ZINC00119431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-Amino-1-naphthol hydrochloride 4-Amino-1-naphthol hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2834-90-4 , 5959-56-8 , [5959-56-8]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.31 -2.44 -6.1 3 2 0 46 159.188 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 264 - 266 Enamine Building Blocks
MP 264...266 Enamine Building Blocks
Mp [°C] 273 Acros Organics
MP 280 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 272? dec. Alfa-Aesar
Melting_Point ca 272° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
I23O1-3-E Indoleamine 2,3-dioxygenase 1 (cluster #3 Of 5), Eukaryotic Eukaryotes 6000 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
I23O1_HUMAN P14902 Indoleamine 2,3-dioxygenase, Human 6000 0.61 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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

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