UCSF

ZINC34221435

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 22 Yes

Popular Name: 1-(hydroxymethylBLAHyl)propan-1-one 1-(hydroxymethylBLAHyl)propan-1-one

Find On: PubMed — Wikipedia — Google

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) 2.14 5.27 -10.46 2 4 0 56 298.386 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000044748A1 IBM Patent Data

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