UCSF

ZINC67244898

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 31 No

Popular Name: 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine 4,4-dioxide 3-(1,4-dioxa-8-azaspiro[4.5]dec-…

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CAS Number: [1291839-81-0]

Other Names:

MFCD18788407

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) 1.94 5.69 -17.96 0 9 0 101 442.497 2 ↓
Lo Low (pH 4.5-6) 1.94 6.01 -47.68 1 9 1 103 443.505 2 ↓

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

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