UCSF

ZINC53660696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 3.73 10.96 -103.45 3 2 2 21 296.886 6
Hi High (pH 8-9.5) 3.73 8.72 -39.5 2 2 1 20 295.878 6

Activity (Go SEA)

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