UCSF

ZINC67981870

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 22 Yes

Popular Name: (3R)-3-[[(2,4-dimethylthiazol-5-yl)methylamino]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (3R)-3-[[(2,4-dimethylthiazol-5-…

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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) -0.23 2.29 -12.36 2 6 0 75 327.45 7 ↓
Lo Low (pH 4.5-6) -0.23 2.77 -47.06 3 6 1 79 328.458 7 ↓

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

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