UCSF

ZINC00165587

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: naphthalene-1,4-diol naphthalene-1,4-diol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21545-31-3 , 571-60-8 , [571-60-8]

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) 2.61 1.16 -6.19 2 2 0 40 160.172 0 ↓
Ref Reference (pH 7) 1.34 5.17 -7.02 0 2 0 34 160.172 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 190 TCI
Purity 95% Fluorochem

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 10000 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
I23O1_HUMAN P14902 Indoleamine 2,3-dioxygenase, Human 10000 0.58 Binding ≤ 10μM
I23O1_MOUSE P28776 Indoleamine 2,3-dioxygenase 1, Mouse 10000 0.58 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Tryptophan catabolism

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