UCSF

ZINC20391919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 38 No

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) 2.77 9.5 -62.33 0 9 -1 106 512.542 7
Mid Mid (pH 6-8) 2.77 11.84 -69.75 1 9 0 108 513.55 7

Activity (Go SEA)

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