UCSF

ZINC12358745

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 Yes

Popular Name: 1,4:3,6-Dianhydro-D-glucitol 1,4:3,6-Dianhydro-D-glucitol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 641-74-7 , 652-67-5 , 89825-36-5

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) -1.31 -5.47 -7.75 2 4 0 59 146.142 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 56-64? Alfa-Aesar
Melting_Point 56-64° Alfa-Aesar
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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