UCSF

ZINC41233694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 12 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) 2.77 5.67 -40.3 2 1 1 17 220.77 1
Mid Mid (pH 6-8) 2.77 4.43 -2.45 1 1 0 12 219.762 1

Activity (Go SEA)

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