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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: (4R)-6-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-6-fluoro-N-[(4R)-4,5,6,7-te…

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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) 2.52 10.39 -42.89 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.52 9.68 -4.28 1 1 0 12 319.47 2 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-6-fluoro-N-[(4R)-4,5,6,7-te…

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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) 2.52 9.72 -43.17 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.52 9.22 -3.96 1 1 0 12 319.47 2 ↓

Analogs

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Popular Name: (4R)-6-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-6-fluoro-N-[(4S)-4,5,6,7-te…

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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) 2.52 9.72 -43.17 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.52 9.61 -4.88 1 1 0 12 319.47 2 ↓

Analogs

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Popular Name: (4S)-6-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-6-fluoro-N-[(4S)-4,5,6,7-te…

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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) 2.52 10.39 -42.89 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.52 9.37 -4.21 1 1 0 12 319.47 2 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-6-chloro-N-[(4R)-4,5,6,7-te…

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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) 3.04 10.84 -42.09 2 1 1 17 336.933 2 ↓
Mid Mid (pH 6-8) 3.04 10.14 -3.73 1 1 0 12 335.925 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-6-chloro-N-[(4R)-4,5,6,7-te…

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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) 3.04 10.16 -42.26 2 1 1 17 336.933 2 ↓
Mid Mid (pH 6-8) 3.04 9.68 -3.46 1 1 0 12 335.925 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-6-chloro-N-[(4S)-4,5,6,7-te…

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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) 3.04 10.16 -42.27 2 1 1 17 336.933 2 ↓
Mid Mid (pH 6-8) 3.04 10.06 -4.27 1 1 0 12 335.925 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-6-chloro-N-[(4S)-4,5,6,7-te…

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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) 3.04 10.84 -42.06 2 1 1 17 336.933 2 ↓
Mid Mid (pH 6-8) 3.04 9.82 -3.7 1 1 0 12 335.925 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-N-[(4R)-4,5,6,7-tetrahydrob…

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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) 2.38 10.32 -41.5 2 1 1 17 302.488 2 ↓
Hi High (pH 8-9.5) 2.38 9.62 -3.91 1 1 0 12 301.48 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-N-[(4R)-4,5,6,7-tetrahydrob…

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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) 2.38 9.65 -41.59 2 1 1 17 302.488 2 ↓
Hi High (pH 8-9.5) 2.38 9.16 -4.04 1 1 0 12 301.48 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-N-[(4S)-4,5,6,7-tetrahydrob…

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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) 2.38 9.65 -41.56 2 1 1 17 302.488 2 ↓
Hi High (pH 8-9.5) 2.38 9.53 -4.27 1 1 0 12 301.48 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-N-[(4S)-4,5,6,7-tetrahydrob…

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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) 2.38 10.32 -41.51 2 1 1 17 302.488 2 ↓
Hi High (pH 8-9.5) 2.38 9.3 -4.38 1 1 0 12 301.48 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(4R)-4,5,6,7-te…

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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) 2.50 9.7 -47.79 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.50 9.2 -5.74 1 1 0 12 319.47 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(4R)-4,5,6,7-te…

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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) 2.50 10.37 -47.61 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.50 9.67 -5.74 1 1 0 12 319.47 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4S)-8-fluoro-N-[(4S)-4,5,6,7-te…

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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) 2.50 10.37 -47.65 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.50 9.35 -6.5 1 1 0 12 319.47 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]thiochroman-4-amine (4R)-8-fluoro-N-[(4S)-4,5,6,7-te…

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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) 2.50 9.7 -47.79 2 1 1 17 320.478 2 ↓
Mid Mid (pH 6-8) 2.50 9.58 -5.95 1 1 0 12 319.47 2 ↓

Parameters Provided:

ring.id = 210638
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 = 210638 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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