UCSF

ZINC43460821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.42 5.61 -51.86 1 5 -1 82 281.089 2
Hi High (pH 8-9.5) 1.42 5.79 -115.96 0 5 -2 80 280.081 2

Activity (Go SEA)

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