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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3S)-3-(2-methylimidazol-1-yl)-…

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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) 0.32 6.17 -35.95 2 6 1 64 320.442 3 ↓
Mid Mid (pH 6-8) 0.32 5.69 -13.44 1 6 0 63 319.434 3 ↓

Analogs

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Popular Name: [(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3R)-3-(2-methylimidazol-1-yl)-…

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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) 0.32 6.2 -36.84 2 6 1 64 320.442 3 ↓
Mid Mid (pH 6-8) 0.32 5.73 -13.72 1 6 0 63 319.434 3 ↓

Analogs

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Popular Name: [(3S)-3-(2-isopropylimidazol-1-yl)-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3S)-3-(2-isopropylimidazol-1-y…

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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) 1.38 7.35 -34.7 2 6 1 64 348.496 4 ↓
Mid Mid (pH 6-8) 1.38 6.75 -12.92 1 6 0 63 347.488 4 ↓

Analogs

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Popular Name: [(3R)-3-(2-isopropylimidazol-1-yl)-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3R)-3-(2-isopropylimidazol-1-y…

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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) 1.38 7.39 -35.47 2 6 1 64 348.496 4 ↓
Mid Mid (pH 6-8) 1.38 6.77 -13.27 1 6 0 63 347.488 4 ↓

Analogs

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Popular Name: [(3S)-3-imidazol-1-yl-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3S)-3-imidazol-1-yl-1-piperidy…

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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 6.43 -39.06 2 6 1 64 306.415 3 ↓
Mid Mid (pH 6-8) 0.23 5.72 -13.02 1 6 0 63 305.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R)-3-imidazol-1-yl-1-piperidyl]-[3-methyl-5-(methylamino)isothiazol-4-yl]methanone [(3R)-3-imidazol-1-yl-1-piperidy…

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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 6.48 -40.11 2 6 1 64 306.415 3 ↓
Mid Mid (pH 6-8) 0.23 5.77 -13.26 1 6 0 63 305.407 3 ↓

Parameters Provided:

ring.id = 386075
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 386075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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