UCSF

ZINC22563806

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 18 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) -0.37 2.2 -98.78 4 5 2 54 257.378 1
Mid Mid (pH 6-8) -0.37 -0.27 -43.98 3 5 1 53 256.37 1
Mid Mid (pH 6-8) -0.37 1.73 -122.02 4 5 2 54 257.378 1

Activity (Go SEA)

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