UCSF

ZINC54471936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 16 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) 2.81 5.49 -37.34 3 3 1 46 229.388 8
Hi High (pH 8-9.5) 2.81 4.39 -5.79 2 3 0 41 228.38 8

Activity (Go SEA)

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