UCSF

ZINC20054187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 2.49 6.72 -35.17 2 2 1 16 227.397 7
Mid Mid (pH 6-8) 2.49 8.14 -103.63 3 2 2 21 228.405 7
Mid Mid (pH 6-8) 2.49 5.61 -40.33 2 2 1 20 227.397 7

Activity (Go SEA)

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