UCSF

ZINC38665623

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 27 Yes

Other Names:

DNC001312

Scyllo-inositol

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) 2.90 9.78 -41.62 2 5 1 60 362.453 4
Lo Low (pH 4.5-6) 2.90 10.25 -110.56 3 5 2 61 363.461 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.