UCSF

ZINC38158028

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 18 No

Popular Name: 1-dodecyl-1-methyl-pyrrolidin-1-ium 1-dodecyl-1-methyl-pyrrolidin-1-ium

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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) 2.25 14.17 -27.73 0 1 1 0 254.482 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 220 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 220 0.52 Functional ≤ 10μM

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