UCSF

ZINC22173865

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) -0.47 2.34 -56.18 3 5 1 64 235.311 2
Mid Mid (pH 6-8) -0.47 2.79 -111.98 4 5 2 65 236.319 2

Activity (Go SEA)

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