UCSF

ZINC52232805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 12 Yes

Other Names:

ethyl-3-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) 0.80 5.19 -46.88 0 3 -1 53 164.184 3
Lo Low (pH 4.5-6) 0.80 5.75 -50.68 1 3 0 54 165.192 3

Activity (Go SEA)

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