UCSF

ZINC38997949

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2010 14 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) 2.54 4.45 -5.97 3 3 0 55 228.082 1
Lo Low (pH 4.5-6) 2.54 4.6 -29.75 4 3 1 56 229.09 1

Activity (Go SEA)

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