UCSF

ZINC01383270

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 Yes

Popular Name: 1-[6-(3,3-dimethyl-2-oxo-1-azetanyl)-2-pyridinyl]-3,3-dimethyl-2-azetanone 1-[6-(3,3-dimethyl-2-oxo-1-azeta…

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CAS Number: 303986-10-9

Other Names:

MFCD00793399

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) 2.27 0.19 -31.89 0 5 0 53 273.336 2 ↓
Lo Low (pH 4.5-6) 2.27 0.55 -38.75 1 5 1 54 274.344 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 151 - 153 KeyOrganics

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Rings

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

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