UCSF

ZINC37035683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) -1.41 -1.37 -58.6 4 5 1 91 287.814 5
Hi High (pH 8-9.5) -1.41 -1.77 -17 3 5 0 89 286.806 5

Activity (Go SEA)

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