UCSF

ZINC06740840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 14 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) 3.88 8.09 -5.98 0 2 0 17 208.692 1
Mid Mid (pH 6-8) 3.88 8.5 -25.44 1 2 1 19 209.7 1

Activity (Go SEA)

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