UCSF

ZINC33838755

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 23 Yes

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) 5.50 11.3 -47.75 1 3 -1 60 319.465 14
Lo Low (pH 4.5-6) 5.50 10.18 -9.74 2 3 0 58 320.473 14

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_13615 ChEBI
Patent Database Links US2002045579 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Fatty acids

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