UCSF

ZINC49388513

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) -0.24 5.89 -41.03 1 5 1 43 249.338 2
Mid Mid (pH 6-8) -0.24 3.71 -8.92 0 5 0 41 248.33 2

Activity (Go SEA)

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