UCSF

ZINC20109489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 37 No

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) 3.22 8.03 -57.77 0 9 -1 108 507.563 10
Mid Mid (pH 6-8) 3.22 10.38 -69.84 1 9 0 110 508.571 10

Activity (Go SEA)

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