UCSF

ZINC54979046

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 23 Yes

Popular Name: monocrotaline monocrotaline

Find On: PubMed — Wikipedia — Google

CAS Number: 315-22-0

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) 0.70 -0.9 -6.85 2 7 0 96 325.361 0 ↓

Vendor Notes

Note Type Comments Provided By
Target Diacylglycerol kinase theta(P52824)&1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase epsilon-1(Q9P212)&Serum paraoxonase/arylesterase 1(P27169)&Tyrosine-protein phosphatase non-receptor type 6(P29350)&Complement C1r subcomponent(P00736)&Ribosomal Herbal Ingredients Targets

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Rings

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

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