UCSF

ZINC48936325

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 0.77 3.31 -11.34 2 6 0 84 274.324 2
Mid Mid (pH 6-8) 0.77 3.22 -40.8 1 6 -1 82 273.316 2

Activity (Go SEA)

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