UCSF

ZINC05282658

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 19 No

Popular Name: Tanachin Tanachin

Find On: PubMed — Wikipedia — Google

CAS Number: 60362-95-0

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) 0.61 -1.49 -8.74 2 4 0 66 264.321 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.443 Bitter DB
biological_source Constit. of Tanacetum pseudoachillea ZereneX Building Blocks
biological_use Phytoncide IBScreen Bioactives

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