UCSF

ZINC33822170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 10 Yes

Other Names:

4Z,7-octadienoic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.77 6.22 -43.38 0 2 -1 40 139.174 5
Lo Low (pH 4.5-6) 1.77 4.24 -5.15 1 2 0 37 140.182 5

Activity (Go SEA)

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