UCSF

ZINC01755956

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

Popular Name: 3-Butoxy-1-propanol 3-Butoxy-1-propanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10215-33-5 , [10215-33-5]

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) 1.37 -1.93 -4.14 1 2 0 29 132.203 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5407995 IBM Patent Data

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