UCSF

ZINC39121732

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 1.84 -0.39 -35.04 2 4 -1 74 240.091 2
Mid Mid (pH 6-8) 1.84 -0.52 -9.42 3 4 0 72 241.099 2

Activity (Go SEA)

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