UCSF

ZINC20130076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 24 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) 1.49 4.34 -6.92 1 5 0 43 334.46 10
Mid Mid (pH 6-8) 1.49 6.6 -40.85 2 5 1 44 335.468 10

Activity (Go SEA)

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