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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: (3R)-N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-N-[[3-(methylamino…

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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) -0.22 1.95 -121.27 3 6 2 81 275.374 5 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-1,1-dioxo-thiolan-3-amine (3S)-N-methyl-N-[[3-(methylamino…

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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) -0.22 2.02 -121.1 3 6 2 81 275.374 5 ↓

Analogs

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Popular Name: (3R)-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[3-(ethylaminomethyl)iso…

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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) 0.16 2.81 -121.29 3 6 2 81 289.401 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[3-(ethylaminomethyl)iso…

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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) 0.16 2.88 -121.1 3 6 2 81 289.401 6 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]thiolan-3-amine (3R)-N-methyl-1,1-dioxo-N-[[3-(p…

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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) 0.66 3.56 -122.83 3 6 2 81 303.428 7 ↓

Analogs

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Popular Name: (3S)-N-methyl-1,1-dioxo-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]thiolan-3-amine (3S)-N-methyl-1,1-dioxo-N-[[3-(p…

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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) 0.66 3.63 -122.65 3 6 2 81 303.428 7 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[3-[(isopropylamino)meth…

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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) 0.46 3.33 -120.74 3 6 2 81 303.428 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[3-[(isopropylamino)meth…

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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) 0.46 3.4 -120.55 3 6 2 81 303.428 6 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[3-[(tert-butylamino)met…

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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) 0.97 3.76 -119.02 3 6 2 81 317.455 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[3-[(tert-butylamino)met…

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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) 0.97 3.83 -118.9 3 6 2 81 317.455 6 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[3-[(isobutylamino)methy…

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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) 0.90 4.25 -123.31 3 6 2 81 317.455 7 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[3-[(isobutylamino)methy…

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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) 0.90 4.32 -123.1 3 6 2 81 317.455 7 ↓

Analogs

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Popular Name: (3R)-N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-N-[[3-(aminomethyl)isoxazol…

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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) -0.59 0.08 -126.14 4 6 2 92 261.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-N-[[3-(aminomethyl)isoxazol…

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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) -0.59 0.09 -127.08 4 6 2 92 261.347 4 ↓

Parameters Provided:

ring.id = 243366
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 = 243366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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