UCSF

ZINC39257656

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 1.54 7.45 -136.06 0 5 -2 85 217.18 2
Lo Low (pH 4.5-6) 1.54 5.55 -63.45 1 5 -1 82 218.188 2
Lo Low (pH 4.5-6) 1.54 5.15 -51.43 1 5 -1 82 218.188 2

Activity (Go SEA)

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