UCSF

ZINC25506165

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 20 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) 2.28 4.14 -46.94 4 5 1 75 298.794 5
Hi High (pH 8-9.5) 2.28 2.89 -14.39 3 5 0 70 297.786 5

Activity (Go SEA)

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