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Popular Name: N-methyl-1-[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3S)-3-(thiazol-4-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) 1.26 3.76 -43.46 2 3 1 39 213.326 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methanamine N-methyl-1-[(3R)-3-(thiazol-4-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) 1.26 3.41 -43.54 2 3 1 39 213.326 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3S)-3-(thiazol-4-ylmethyl)t…

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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 4.63 -42.59 2 3 1 39 227.353 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine N-[[(3R)-3-(thiazol-4-ylmethyl)t…

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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 4.28 -42.22 2 3 1 39 227.353 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3S)-3-(thiazol-4-ylmethyl)t…

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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) 1.79 5.38 -43.51 2 3 1 39 241.38 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine N-[[(3R)-3-(thiazol-4-ylmethyl)t…

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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) 1.79 5.03 -43.13 2 3 1 39 241.38 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3S)-3-(thiazol-4-ylmethyl)t…

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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) 1.93 5.16 -41.17 2 3 1 39 241.38 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine N-[[(3R)-3-(thiazol-4-ylmethyl)t…

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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) 1.93 4.81 -40.52 2 3 1 39 241.38 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3S)-3-(thiazol-4-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) 2.44 5.58 -39.23 2 3 1 39 255.407 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3R)-3-(thiazol-4-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) 2.44 5.23 -39.03 2 3 1 39 255.407 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine 2-methyl-N-[[(3S)-3-(thiazol-4-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) 2.03 6.07 -43.54 2 3 1 39 255.407 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]propan-1-amine 2-methyl-N-[[(3R)-3-(thiazol-4-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) 2.03 5.72 -42.75 2 3 1 39 255.407 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(3S)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine 2-methoxy-N-[[(3S)-3-(thiazol-4-…

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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) 0.89 3.76 -42.5 2 4 1 48 257.379 7 ↓
Hi High (pH 8-9.5) 0.89 2.07 -4.36 1 4 0 43 256.371 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(3R)-3-(thiazol-4-ylmethyl)tetrahydrofuran-3-yl]methyl]ethanamine 2-methoxy-N-[[(3R)-3-(thiazol-4-…

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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) 0.89 3.4 -42.54 2 4 1 48 257.379 7 ↓
Hi High (pH 8-9.5) 0.89 3.16 -5.05 1 4 0 43 256.371 7 ↓

Parameters Provided:

ring.id = 135075
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 = 135075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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