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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]tetrahydrothiophen-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) 0.91 5.67 -104.87 3 4 2 47 243.376 5 ↓
Hi High (pH 8-9.5) 0.91 4.2 -46.42 2 4 1 42 242.368 5 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]tetrahydrothiophen-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) 0.91 5.71 -103.33 3 4 2 47 243.376 5 ↓
Hi High (pH 8-9.5) 0.91 4.26 -45.43 2 4 1 42 242.368 5 ↓

Analogs

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Popular Name: (3R)-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 1.28 6.53 -104.91 3 4 2 47 257.403 6 ↓
Hi High (pH 8-9.5) 1.28 5.14 -46.26 2 4 1 42 256.395 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-(ethylaminomethyl)isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 1.28 6.57 -103.27 3 4 2 47 257.403 6 ↓
Hi High (pH 8-9.5) 1.28 5.19 -45.21 2 4 1 42 256.395 6 ↓

Analogs

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Popular Name: (3R)-N-methyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]tetrahydrothiophen-3-amine (3R)-N-methyl-N-[[3-(propylamino…

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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) 1.78 7.28 -106.39 3 4 2 47 271.43 7 ↓

Analogs

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Popular Name: (3S)-N-methyl-N-[[3-(propylaminomethyl)isoxazol-5-yl]methyl]tetrahydrothiophen-3-amine (3S)-N-methyl-N-[[3-(propylamino…

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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) 1.78 7.32 -104.83 3 4 2 47 271.43 7 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 1.58 7.04 -103.28 3 4 2 47 271.43 6 ↓
Hi High (pH 8-9.5) 1.58 5.85 -46.04 2 4 1 42 270.422 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(isopropylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 1.58 7.09 -101.74 3 4 2 47 271.43 6 ↓
Hi High (pH 8-9.5) 1.58 5.9 -45.1 2 4 1 42 270.422 6 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 2.09 7.47 -102.49 3 4 2 47 285.457 6 ↓
Hi High (pH 8-9.5) 2.09 6.24 -46.05 2 4 1 42 284.449 6 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(tert-butylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 2.09 7.52 -100.9 3 4 2 47 285.457 6 ↓
Hi High (pH 8-9.5) 2.09 6.28 -44.97 2 4 1 42 284.449 6 ↓

Analogs

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Popular Name: (3R)-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 2.03 7.97 -107.16 3 4 2 47 285.457 7 ↓

Analogs

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Popular Name: (3S)-N-[[3-[(isobutylamino)methyl]isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 2.03 8.02 -105.52 3 4 2 47 285.457 7 ↓

Analogs

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Popular Name: (3R)-N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 0.53 3.87 -105.66 4 4 2 58 229.349 4 ↓
Hi High (pH 8-9.5) 0.53 3.46 -46.29 3 4 1 56 228.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-tetrahydrothiophen-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) 0.53 3.84 -108.31 4 4 2 58 229.349 4 ↓
Hi High (pH 8-9.5) 0.53 3.43 -47.48 3 4 1 56 228.341 4 ↓

Parameters Provided:

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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 = 237178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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