UCSF

ZINC41719871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 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) 0.69 0.52 -7.27 1 4 0 44 248.754 4
Lo Low (pH 4.5-6) 0.69 2.85 -42.64 2 4 1 45 249.762 4

Activity (Go SEA)

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