UCSF

ZINC02534433

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 Yes

Popular Name: Bicyclo[2.2.1]heptane-2-carboxylic acid Bicyclo[2.2.1]heptane-2-carboxyl…

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CAS Number: 824-62-4

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) 1.47 4.82 -49.34 0 2 -1 40 139.174 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 134-136?/16mm Alfa-Aesar
Boiling_Point 134-136°/16mm Alfa-Aesar
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 40? Alfa-Aesar
Melting_Point ca 40° Alfa-Aesar

Activity (Go SEA)

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