UCSF

ZINC05125148

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 18 No

Popular Name: Parthenolide Parthenolide

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CAS Number: 20554-84-1

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) 2.09 7.13 -7.83 0 3 0 39 248.322 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.025 Bitter DB
mechanism 5-HT antagonist IBScreen Bioactives IBScreen Bioactives
biological_use Active ingredient in folk remedies used to treat migraine IBScreen Bioactives
biological_use Antineoplastic agent IBScreen Bioactives IBScreen Bioactives
biological_use Inhibits smooth muscle contractility IBScreen Bioactives
mechanism Interleukin antagonist IBScreen Bioactives
mechanism Interleukin-1 antagonist IBScreen Bioactives
mechanism Nitric oxide antagonist IBScreen Bioactives
mechanism Prostaglandin antagonist IBScreen Bioactives
mechanism Prostaglandin-E2 antagonist IBScreen Bioactives
mechanism TNF-alpha antagonist IBScreen Bioactives

Activity (Go SEA)

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