UCSF

ZINC37012386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -0.55 1.36 -45.74 4 5 1 77 248.734 5
Hi High (pH 8-9.5) -0.55 -0.84 -13.02 3 5 0 75 247.726 5

Activity (Go SEA)

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