UCSF

ZINC13208824

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 20 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) 4.77 9.78 -9.83 0 1 0 13 281.355 0
Lo Low (pH 4.5-6) 4.77 9.98 -29.27 1 1 1 14 282.363 0

Activity (Go SEA)

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