UCSF

ZINC53314874

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 30 No

Popular Name: 5-undecyl-4-vinyl-6H-[1,3]dioxolo[4,5-j]phenanthridine 5-undecyl-4-vinyl-6H-[1,3]dioxol…

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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) 8.61 15.49 -6.68 0 3 0 22 405.582 11 ↓
Lo Low (pH 4.5-6) 8.61 15.38 -35.53 1 3 1 23 406.59 11 ↓

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 7400 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 7400 0.24 Functional ≤ 10μM

Rings

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

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