UCSF

ZINC57718412

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 23 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) 2.48 8.31 -92.76 2 5 2 46 363.955 10
Hi High (pH 8-9.5) 2.48 5.82 -41.92 1 5 1 45 362.947 10

Activity (Go SEA)

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