UCSF

ZINC43967863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.09 8.1 -90.08 3 3 2 24 241.423 6
Hi High (pH 8-9.5) 2.09 5.84 -33.17 2 3 1 23 240.415 6

Activity (Go SEA)

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