UCSF

ZINC57907356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 1.74 6.74 -48.37 2 4 1 57 250.366 3
Mid Mid (pH 6-8) 1.74 4.58 -11.5 1 4 0 56 249.358 3

Activity (Go SEA)

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