UCSF

ZINC47703400

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 12 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) 3.45 7.71 -36.79 1 1 1 4 249.197 4
Mid Mid (pH 6-8) 3.45 5.38 -1.74 0 1 0 3 248.189 4

Activity (Go SEA)

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