UCSF

ZINC22203919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 26 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) 2.37 6.52 -13.79 0 6 0 47 366.55 9
Mid Mid (pH 6-8) 2.37 8.92 -50.44 1 6 1 48 367.558 9

Activity (Go SEA)

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