UCSF

ZINC55634178

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 22 No

Popular Name: (3S,3aS,8aS,10S,10aR,10bS,10cS)-3-isocyano-3,7,7,10-tetramethyl-1,2,3a,4,6,8,8a,9,10,10a,10b,10c-dod (3S,3aS,8aS,10S,10aR,10bS,10cS)-…

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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) -0.79 12.21 -1.21 0 1 0 4 297.486 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 285 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 285.39 0.42 Functional ≤ 10μM

Rings

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

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