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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: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-2-(4-fluorophenyl)-1-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) 2.19 5.05 -60.97 2 3 1 51 286.392 4 ↓
Hi High (pH 8-9.5) 2.19 4.04 -12.36 1 3 0 46 285.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-2-(4-fluorophenyl)-1-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) 2.19 5.06 -61.01 2 3 1 51 286.392 4 ↓
Hi High (pH 8-9.5) 2.19 4.18 -13.45 1 3 0 46 285.384 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-2-(4-methoxyphenyl)-1-me…

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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) 2.08 4.29 -58.11 2 4 1 60 298.428 5 ↓
Hi High (pH 8-9.5) 2.08 3.34 -11.9 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-2-(4-methoxyphenyl)-1-me…

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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) 2.08 4.29 -58.77 2 4 1 60 298.428 5 ↓
Hi High (pH 8-9.5) 2.08 3.41 -13.51 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: N-[2-(4-nitrophenyl)ethyl]-1,1-dioxo-thian-4-amine N-[2-(4-nitrophenyl)ethyl]-1,1-d…

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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) 1.65 5.16 -77.92 2 6 1 97 299.372 5 ↓
Hi High (pH 8-9.5) 1.65 3.97 -17 1 6 0 92 298.364 5 ↓

Analogs

40177493
40177493
40177494
40177494
37413427
37413427

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Popular Name: 4-[2-[(1,1-dioxothian-4-yl)amino]ethyl]benzenesulfonamide 4-[2-[(1,1-dioxothian-4-yl)amino…

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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) 0.39 -0.58 -75.21 4 6 1 111 333.455 5 ↓
Hi High (pH 8-9.5) 0.39 -1.77 -19.91 3 6 0 106 332.447 5 ↓

Parameters Provided:

ring.id = 18234
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 = 18234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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