UCSF

ZINC05214626

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 24 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) 4.96 7.49 -9.45 1 5 0 64 338.388 2
Ref Reference (pH 7) 4.47 6.94 -47.04 0 5 -1 63 337.38 3

Activity (Go SEA)

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