UCSF

ZINC67981815

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 25 Yes

Popular Name: (1R,6S)-9-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-4,9-diazabicyclo[4.2.1]nonan-3-one (1R,6S)-9-(4-methyl-7-methylsulf…

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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) 2.40 5.36 -19.74 1 7 0 92 360.439 2 ↓

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Rings

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

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