UCSF

ZINC02169527

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 Yes

Popular Name: N-(4-AMINOBUTYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE N-(4-AMINOBUTYL)-5-CHLORO-2-NAPH…

Find On: PubMed — Wikipedia — Google

CAS Number: 88519-57-7

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) 2.17 3.13 -51.54 4 4 1 74 313.83 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-2-O Plasmodium Falciparum (cluster #2 Of 22), Other Other 10000 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.35 Functional ≤ 10μM

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

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