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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: (4S)-8-fluoro-N-[2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-8-fluoro-N-[2-(2-thienyl)et…

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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) 3.11 8.38 -7.23 1 1 0 12 293.432 4 ↓
Lo Low (pH 4.5-6) 3.11 9.56 -53.9 2 1 1 17 294.44 4 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[2-(2-thienyl)et…

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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) 3.11 8.73 -6.05 1 1 0 12 293.432 4 ↓
Lo Low (pH 4.5-6) 3.11 9.56 -53.55 2 1 1 17 294.44 4 ↓

Analogs

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Popular Name: (4R)-6-chloro-N-[2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[2-(2-thienyl)et…

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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) 3.65 8.84 -4.29 1 1 0 12 309.887 4 ↓
Lo Low (pH 4.5-6) 3.65 10.03 -46.8 2 1 1 17 310.895 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[2-(2-thienyl)et…

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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) 3.65 9.2 -3.52 1 1 0 12 309.887 4 ↓
Lo Low (pH 4.5-6) 3.65 10.03 -46.95 2 1 1 17 310.895 4 ↓

Analogs

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Popular Name: (4R)-8-fluoro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1S)-1-methyl-2…

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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) 3.44 8.83 -5.42 1 1 0 12 307.459 4 ↓
Lo Low (pH 4.5-6) 3.44 9.5 -42.88 2 1 1 17 308.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-8-fluoro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-8-fluoro-N-[(1R)-1-methyl-2…

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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) 3.44 9.06 -6.66 1 1 0 12 307.459 4 ↓
Lo Low (pH 4.5-6) 3.44 10.11 -47 2 1 1 17 308.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1S)-1-methyl-2…

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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) 3.44 9.43 -5.59 1 1 0 12 307.459 4 ↓
Lo Low (pH 4.5-6) 3.44 10.14 -44.18 2 1 1 17 308.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-8-fluoro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-8-fluoro-N-[(1R)-1-methyl-2…

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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) 3.44 8.88 -6.53 1 1 0 12 307.459 4 ↓
Lo Low (pH 4.5-6) 3.44 9.48 -47.15 2 1 1 17 308.467 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1S)-1-methyl-2…

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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) 3.98 9.3 -4.14 1 1 0 12 323.914 4 ↓
Lo Low (pH 4.5-6) 3.98 9.97 -36.37 2 1 1 17 324.922 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-6-chloro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4R)-6-chloro-N-[(1R)-1-methyl-2…

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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) 3.98 9.52 -3.35 1 1 0 12 323.914 4 ↓
Lo Low (pH 4.5-6) 3.98 10.59 -40.31 2 1 1 17 324.922 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1S)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1S)-1-methyl-2…

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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) 3.98 9.9 -3.39 1 1 0 12 323.914 4 ↓
Lo Low (pH 4.5-6) 3.98 10.61 -38.23 2 1 1 17 324.922 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-[(1R)-1-methyl-2-(2-thienyl)ethyl]thiochroman-4-amine (4S)-6-chloro-N-[(1R)-1-methyl-2…

Find On: PubMed — Wikipedia — Google

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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) 3.98 9.78 -4.08 1 1 0 12 323.914 4 ↓
Lo Low (pH 4.5-6) 3.98 9.94 -39.95 2 1 1 17 324.922 4 ↓

Parameters Provided:

ring.id = 547954
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 = 547954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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