UCSF

ZINC65530155

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 16 Yes

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) 0.25 8 -47.88 1 5 1 44 225.316 5 ↓
Hi High (pH 8-9.5) 0.25 5.72 -11.89 0 5 0 43 224.308 5 ↓

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

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