UCSF

ZINC01087345

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 12 Yes

Popular Name: (1R)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-ethanol (1R)-6,6-Dimethylbicyclo[3.1.1]h…

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CAS Numbers: 35836-73-8 , [128-50-7]

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) 2.57 -0.72 -2.41 1 1 0 20 166.264 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 230-240? Alfa-Aesar
Boiling_Point 230-240° Alfa-Aesar

Activity (Go SEA)

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