UCSF

ZINC01529473

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: Perillaldehyde Perillaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18031-40-8 , 2111-75-3

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) 2.83 2.56 -6.08 0 1 0 17 150.221 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 98 / 7 TCI
Patent Database Links EP1543829; US2008233186; WO2005034857 ChEBI
UniProt Database Links GEOA_CASDE; LIHY_GEOSE ChEBI

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