UCSF

ZINC57718356

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 24 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) 2.68 9.89 -99.33 2 5 2 46 357.564 10
Hi High (pH 8-9.5) 2.68 7.42 -49.16 1 5 1 45 356.556 10

Activity (Go SEA)

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