UCSF

ZINC82505970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2012 12 Yes

Other Names:

ethyl-4-pyridylacetate

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) 1.22 5.25 -44.2 0 3 -1 53 164.184 3
Lo Low (pH 4.5-6) 1.22 5.7 -51.15 1 3 0 54 165.192 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.