UCSF

ZINC00056654

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: Khellin Khellin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 82-02-0 , [82-02-0]

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) 2.29 6.27 -12.84 0 5 0 62 260.245 2 ↓

Vendor Notes

Note Type Comments Provided By
mechanism Cholesterol antagonist ZereneX Building Blocks
Molecular_Solubility 2.98 Bitter DB
biological_use . ZereneX Building Blocks
MP 150-154°C Indofine
MP 152 TCI
MP 154-155o C Indofine
biological_use Bronchodilator IBScreen Bioactives
mechanism Cholesterol antagonist IBScreen Bioactives
biological_source Constit. of the fruit of Ammi visnaga ZereneX Building Blocks
biological_use Displays a range of pharmacol. activity including anthelmintic, antianaphylactic, antiarteriosclerotic, antiasthmatic and antidiabetic props. IBScreen Bioactives IBScreen Bioactives
biological_use Exhibits spasmolytic activity, used in treatment of heart disease IBScreen Bioactives
biological_use Photochemotherapeutic agent for treatment of vitiligo IBScreen Bioactives
biological_use Shows antitussive, antiulcerogenic, bronchodilator and vasodilator props. IBScreen Bioactives
SOLUBILITY Soluble in Alcohol Indofine
biological_use Spasmolytic IBScreen Bioactives
biological_use Vasodilator IBScreen Bioactives
therap vasodilator (coronary), photosensitizer MicroSource World Drugs

Activity (Go SEA)

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