UCSF

ZINC40532335

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 19 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) -0.74 6.36 -68.69 3 7 0 102 266.301 4
Mid Mid (pH 6-8) -0.74 5.77 -55.97 2 7 -1 101 265.293 4

Activity (Go SEA)

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