UCSF

ZINC25248305

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 22 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) 0.50 4.36 -18.38 1 6 0 69 320.418 2
Mid Mid (pH 6-8) 0.50 6.54 -62.06 2 6 1 70 321.426 2

Activity (Go SEA)

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