UCSF

ZINC03096570

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 16 Yes

Popular Name: 1,3-Adamantanedicarboxylic acid 1,3-Adamantanedicarboxylic acid

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CAS Numbers: 17768-28-4 , 39269-10-8 , [39269-10-8]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.26 5.64 -115.27 0 4 -2 80 222.24 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 276 - 278 Enamine Building Blocks
Melting_Point 276-278? Alfa-Aesar
MP 276...278 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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