UCSF

ZINC25513657

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 No

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) 2.38 9.8 -33.46 2 8 0 106 472.621 6
Hi High (pH 8-9.5) 2.84 7.34 -71.42 1 8 -1 109 471.613 6

Activity (Go SEA)

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