UCSF

ZINC26516628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 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) -0.22 2.41 -41.56 2 4 1 46 197.258 3
Mid Mid (pH 6-8) -0.22 1.09 -9.77 1 4 0 42 196.25 3

Activity (Go SEA)

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