UCSF

ZINC67458338

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: (1S,6R)-3-methyl-9-[(2-morpholinothiazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (1S,6R)-3-methyl-9-[(2-morpholin…

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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) 2.06 6.94 -48.5 1 6 1 50 337.469 3 ↓
Mid Mid (pH 6-8) 2.06 4.83 -11.54 0 6 0 49 336.461 3 ↓
Lo Low (pH 4.5-6) 2.06 7.38 -111.16 2 6 2 51 338.477 3 ↓

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

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