UCSF

ZINC06920380

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 26 No

Popular Name: Lignoceric Acid Lignoceric Acid

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CAS Number: 557-59-5

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) 9.41 19.23 -43.02 0 2 -1 40 367.638 22 ↓
Lo Low (pH 4.5-6) 9.41 17.26 -4.75 1 2 0 37 368.646 22 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 272 (p=10 torr) Acros Organics
Mp [°C] 84 - 86 Acros Organics
Patent Database Links EP1676488; US2002045606; US2003180433; US2004122094; US2004124397; US2004254357; US2006039962; US2008004342; US2008176956; US2008226710; WO2007094000 ChEBI
Patent Database Links EP1983044 ChEBI
UniProt Database Links FAC13_MYCTU; SUD1_ARATH ChEBI
Reactome Database Links REACT_23817 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Transport of fatty acids

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