UCSF

ZINC37826859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.08 5.07 -36.36 3 5 1 60 292.403 5
Mid Mid (pH 6-8) -1.08 5.42 -92.75 4 5 2 62 293.411 5

Activity (Go SEA)

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