UCSF

ZINC37812794

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.02 1.29 -44.55 4 5 1 80 246.356 6
Mid Mid (pH 6-8) -0.02 0.06 -12.94 3 5 0 75 245.348 6

Activity (Go SEA)

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