UCSF

ZINC19322900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 20 No

Popular Name: 2',2',5,7-tetramethyl-3',4',5',6'-tetrahydrospiro(1,3-diazaadamantane-2,4'-[2'H]-pyran)-6-one 2',2',5,7-tetramethyl-3',4',5',6…

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Other Names:

MFCD00421461

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) 1.60 6.09 -41.26 1 4 1 34 279.404 0 ↓
Hi High (pH 8-9.5) 1.60 3.86 -5.21 0 4 0 33 278.396 0 ↓
Lo Low (pH 4.5-6) 1.60 6.05 -41.31 1 4 1 34 279.404 0 ↓

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

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