UCSF

ZINC22326616

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 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) 2.87 5.98 -9.75 1 4 0 45 261.369 4
Mid Mid (pH 6-8) 2.87 6.18 -35.07 2 4 1 46 262.377 4

Activity (Go SEA)

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