UCSF

ZINC20054096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 0.15 4.59 -38.94 2 4 1 37 216.349 8
Mid Mid (pH 6-8) 0.15 5.98 -103.52 3 4 2 41 217.357 8
Mid Mid (pH 6-8) 0.15 3.45 -41.67 2 4 1 40 216.349 8

Activity (Go SEA)

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