UCSF

ZINC32786156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 14 No

Other Names:

5E-dodecenoic acid

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) 4.55 8.8 -45.4 0 2 -1 40 197.298 9
Lo Low (pH 4.5-6) 4.55 7.68 -6.93 1 2 0 37 198.306 9

Activity (Go SEA)

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