UCSF

ZINC00058171

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Substance Information

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

Popular Name: Cabreuvin Cabreuvin

Find On: PubMed — Wikipedia — Google

CAS Number: 1621-61-0

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) 3.22 6.85 -12.95 0 5 0 58 312.321 4 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 160.5-162.5 C Indofine
MP 160.5-162.5o C Indofine
mechanism Antifertility agent II IBScreen Bioactives
biological_source Isol. from Calopogonium mucunoides, Myrocarpus fastigiatus, and Myroxylon balsamum ZereneX Building Blocks
biological_use Phytoncide IBScreen Bioactives
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE White shining powder Indofine

Activity (Go SEA)

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