UCSF

ZINC01609005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 Yes

Popular Name: 1,2-BUTANEDIOL 1,2-BUTANEDIOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 26171-83-5 , 40348-66-1 , 584-03-2 , 73522-17-5 , 98-79-3 , [584-03-2] , [73522-17-5]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) -0.09 -2.68 -4.98 2 2 0 40 90.122 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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

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