UCSF

ZINC59157314

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 8 Yes

Popular Name: (3S)-3-methylpentane-1,3-diol (3S)-3-methylpentane-1,3-diol

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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) 0.63 -1.7 -3.46 2 2 0 40 118.176 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0170933A1; US4703061 IBM Patent Data

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