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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: (3R)-N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1R)-1-methyl-2-(4-methy…

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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) 2.35 4.58 -54.97 2 4 1 60 298.428 5 ↓
Mid Mid (pH 6-8) 2.35 3.54 -12.06 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[(1S)-1-methyl-2-(4-methy…

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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) 2.35 4.63 -53.77 2 4 1 60 298.428 5 ↓
Mid Mid (pH 6-8) 2.35 3.61 -11.87 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: (3S)-N-[(1R)-1-methyl-2-(4-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1R)-1-methyl-2-(4-methy…

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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) 2.35 4.62 -53.73 2 4 1 60 298.428 5 ↓
Mid Mid (pH 6-8) 2.35 3.53 -13.87 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-methyl-2-(4-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-methyl-2-(4-methy…

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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) 2.35 4.58 -55.01 2 4 1 60 298.428 5 ↓
Mid Mid (pH 6-8) 2.35 3.53 -13.65 1 4 0 55 297.42 5 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-phenoxyethyl)thian-3-amine (3R)-1,1-dioxo-N-(2-phenoxyethyl…

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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) 1.57 3.35 -57.04 2 4 1 60 270.374 5 ↓
Mid Mid (pH 6-8) 1.57 2.16 -12.44 1 4 0 55 269.366 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-phenoxyethyl)thian-3-amine (3S)-1,1-dioxo-N-(2-phenoxyethyl…

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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) 1.57 3.36 -55.85 2 4 1 60 270.374 5 ↓
Mid Mid (pH 6-8) 1.57 2.17 -12.06 1 4 0 55 269.366 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(3-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(3-methylphenoxy)ethyl…

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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) 1.99 4.03 -57.02 2 4 1 60 284.401 5 ↓
Mid Mid (pH 6-8) 1.99 2.84 -12.52 1 4 0 55 283.393 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(3-methylphenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(3-methylphenoxy)ethyl…

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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) 1.99 4.04 -55.93 2 4 1 60 284.401 5 ↓
Mid Mid (pH 6-8) 1.99 2.85 -12.15 1 4 0 55 283.393 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-bromophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(4-bromophenoxy)ethyl]…

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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 3.96 -60.37 2 4 1 60 349.27 5 ↓
Mid Mid (pH 6-8) 2.38 2.79 -12.15 1 4 0 55 348.262 5 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-bromophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(4-bromophenoxy)ethyl]…

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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 3.98 -59.34 2 4 1 60 349.27 5 ↓
Mid Mid (pH 6-8) 2.38 2.8 -11.97 1 4 0 55 348.262 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(3-bromophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(3-bromophenoxy)ethyl]…

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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) 2.36 3.97 -58.3 2 4 1 60 349.27 5 ↓
Mid Mid (pH 6-8) 2.36 2.79 -12.01 1 4 0 55 348.262 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(3-bromophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(3-bromophenoxy)ethyl]…

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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) 2.36 3.98 -57.64 2 4 1 60 349.27 5 ↓
Mid Mid (pH 6-8) 2.36 2.8 -12.2 1 4 0 55 348.262 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(4-nitrophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3R)-N-[2-(4-nitrophenoxy)ethyl]…

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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) 1.53 4.06 -70.84 2 7 1 106 315.371 6 ↓
Mid Mid (pH 6-8) 1.53 2.88 -16.36 1 7 0 101 314.363 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(4-nitrophenoxy)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[2-(4-nitrophenoxy)ethyl]…

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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) 1.53 4.07 -70 2 7 1 106 315.371 6 ↓
Mid Mid (pH 6-8) 1.53 2.89 -16.49 1 7 0 101 314.363 6 ↓

Parameters Provided:

ring.id = 287229
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 = 287229 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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