UCSF

ZINC43800940

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 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) 0.50 3.68 -58.77 2 5 1 55 249.29 1
Hi High (pH 8-9.5) 0.50 2.32 -13.42 1 5 0 51 248.282 1

Activity (Go SEA)

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