UCSF

ZINC04290978

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 10 Yes

Popular Name: 4-(Tetrahydro-furan-2-yl)-butan-2-ol 4-(Tetrahydro-furan-2-yl)-butan-…

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CAS Numbers: 4527-76-8 , [4527-76-8]

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) 0.96 1.46 -3.2 1 2 0 29 144.214 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 109-110°/13 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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