UCSF

ZINC42896858

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.67 5.62 -43.39 2 4 1 46 249.334 5
Hi High (pH 8-9.5) 1.67 4.33 -7.67 1 4 0 42 248.326 5

Activity (Go SEA)

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