UCSF

ZINC22219546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 12 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) 0.58 3.22 -50.96 2 3 1 37 171.264 2
Mid Mid (pH 6-8) 0.58 1.85 -7.74 1 3 0 32 170.256 2

Activity (Go SEA)

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