UCSF

ZINC21300214

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 9 Yes

Popular Name: 3-Ethylpentane-1,3-diol 3-Ethylpentane-1,3-diol

Find On: PubMed — Wikipedia — Google

CAS Number: 79388-50-4

Other Names:

MFCD09753764

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) 1.13 -0.96 -5.98 2 2 0 40 132.203 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3936313 IBM Patent Data

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