UCSF

ZINC01487934

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 25 Yes

Popular Name: 3-Benzylisopropylamino-1-naphthalen-2-yl-propan-1-one hydrochloride 3-Benzylisopropylamino-1-naphtha…

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CAS Numbers: 1021868-92-7 , 273727-89-2 , 58753-54-1

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) 5.02 13.56 -42.68 1 2 1 22 332.467 7 ↓

Vendor Notes

Note Type Comments Provided By
Target JAK Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.28 Functional ≤ 10μM

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

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