UCSF

ZINC22013279

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 10 Yes

Popular Name: (2S,5S)-2-ethylhexane-1,5-diol (2S,5S)-2-ethylhexane-1,5-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) 1.20 -0.22 -6 2 2 0 40 146.23 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0839179A1; US5523462 IBM Patent Data

Activity (Go SEA)

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