UCSF

ZINC24540769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 25 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) 2.26 4.94 -45.73 3 7 1 81 352.455 12
Hi High (pH 8-9.5) 2.26 2.94 -17.59 2 7 0 80 351.447 12

Activity (Go SEA)

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