UCSF

ZINC42453149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 1.92 5.77 -80.92 5 5 2 82 259.357 5
Mid Mid (pH 6-8) 1.92 5.6 -37.78 4 5 1 81 258.349 5

Activity (Go SEA)

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