UCSF

ZINC04098408

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 11 Yes

Popular Name: Thujone Thujone

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CAS Number: 546-80-5

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) 2.16 6.33 -3.97 0 1 0 17 152.237 1 ↓

Vendor Notes

Note Type Comments Provided By
Patent Database Links US2007184133 ChEBI

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