UCSF

ZINC01384938

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 21 No

Popular Name: (spiro[5,5-adamantyl])-2-phenyl-1,2,4-triazolan-3-one (spiro[5,5-adamantyl])-2-phenyl-…

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CAS Number: 131365-80-5

Other Names:

MFCD00167917

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) 4.14 6.68 -8.75 2 4 0 44 283.375 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 240 - 244 KeyOrganics

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Rings

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

No pre-computed analogs available. Try a structural similarity search.