UCSF

ZINC57671169

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 18 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) 4.78 9.27 -15.14 2 2 0 16 249.422 8
Hi High (pH 8-9.5) 4.78 9.18 -2.24 1 2 0 15 248.414 8

Activity (Go SEA)

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