UCSF

ZINC01482006

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 19 No

Popular Name: 6-AMINOCHRYSENE 6-AMINOCHRYSENE

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CAS Number: 2642-98-0

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) 4.88 -0.22 -7.94 2 1 0 26 243.309 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPRT-1-E Hypoxanthine-guanine Phosphoribosyltransferase (cluster #1 Of 3), Eukaryotic Eukaryotes 600 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HPRT_HUMAN P00492 Hypoxanthine-guanine Phosphoribosyltransferase, Human 600 0.46 Binding ≤ 1μM
HPRT_HUMAN P00492 Hypoxanthine-guanine Phosphoribosyltransferase, Human 600 0.46 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine salvage

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