UCSF

ZINC39127708

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) 3.46 4.06 -8.05 3 3 0 59 236.34 1
Lo Low (pH 4.5-6) 3.46 4.45 -27.77 4 3 1 60 237.348 1

Activity (Go SEA)

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