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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1,1-dioxo-N-[(1S)-1-(4-pyridyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1S)-1-(4-pyri…

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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) 0.84 4.19 -66.46 2 4 1 64 303.407 3 ↓
Mid Mid (pH 6-8) 0.84 3.69 -14.32 1 4 0 59 302.399 3 ↓
Lo Low (pH 4.5-6) 0.84 4.15 -48.52 2 4 1 60 303.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1,1-dioxo-N-[(1R)-1-(4-pyridyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-[(1R)-1-(4-pyri…

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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) 0.84 4.82 -66.1 2 4 1 64 303.407 3 ↓
Mid Mid (pH 6-8) 0.84 3.79 -16.36 1 4 0 59 302.399 3 ↓
Lo Low (pH 4.5-6) 0.84 4.25 -48.38 2 4 1 60 303.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,1-dioxo-N-[(1S)-1-(4-pyridyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1S)-1-(4-pyri…

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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) 0.84 4.83 -66.25 2 4 1 64 303.407 3 ↓
Mid Mid (pH 6-8) 0.84 4.17 -15.17 1 4 0 59 302.399 3 ↓
Lo Low (pH 4.5-6) 0.84 4.63 -49.16 2 4 1 60 303.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,1-dioxo-N-[(1R)-1-(4-pyridyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-[(1R)-1-(4-pyri…

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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) 0.84 4.2 -66.33 2 4 1 64 303.407 3 ↓
Mid Mid (pH 6-8) 0.84 4.26 -15.78 1 4 0 59 302.399 3 ↓
Lo Low (pH 4.5-6) 0.84 4.72 -49.05 2 4 1 60 303.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1,1-dioxo-N-(4-pyridylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (4R)-1,1-dioxo-N-(4-pyridylmethy…

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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) 0.28 4.2 -70.76 2 4 1 64 289.38 3 ↓
Mid Mid (pH 6-8) 0.28 3.4 -16.14 1 4 0 59 288.372 3 ↓
Lo Low (pH 4.5-6) 0.28 3.85 -49.44 2 4 1 60 289.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1,1-dioxo-N-(4-pyridylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (4S)-1,1-dioxo-N-(4-pyridylmethy…

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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) 0.28 4.19 -70.78 2 4 1 64 289.38 3 ↓
Mid Mid (pH 6-8) 0.28 3.02 -15.54 1 4 0 59 288.372 3 ↓
Lo Low (pH 4.5-6) 0.28 3.48 -47.87 2 4 1 60 289.38 3 ↓

Parameters Provided:

ring.id = 548740
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 = 548740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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