UCSF

ZINC37039853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.31 3.64 -101.84 4 4 2 48 250.39 6
Mid Mid (pH 6-8) -0.31 3.65 -93.9 4 4 2 48 250.39 6
Mid Mid (pH 6-8) -0.31 1.38 -45.03 3 4 1 47 249.382 6

Activity (Go SEA)

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