UCSF

ZINC20109500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 No

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) 1.78 5.25 -60.86 0 9 -1 101 487.554 9
Mid Mid (pH 6-8) 1.78 7.51 -81.51 1 9 0 102 488.562 9

Activity (Go SEA)

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