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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: (3R)-1,1-dioxo-N-[3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propyl]thian-3-amine (3R)-1,1-dioxo-N-[3-[[(2R)-tetra…

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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) 0.52 1.78 -57.35 2 5 1 69 292.421 7 ↓
Hi High (pH 8-9.5) 0.52 0.6 -13.6 1 5 0 65 291.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1,1-dioxo-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]thian-3-amine (3R)-1,1-dioxo-N-[3-[[(2S)-tetra…

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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) 0.52 1.82 -57.68 2 5 1 69 292.421 7 ↓
Hi High (pH 8-9.5) 0.52 0.63 -13.89 1 5 0 65 291.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propyl]thian-3-amine (3S)-1,1-dioxo-N-[3-[[(2R)-tetra…

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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) 0.52 1.79 -57.69 2 5 1 69 292.421 7 ↓
Hi High (pH 8-9.5) 0.52 0.6 -14.82 1 5 0 65 291.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1,1-dioxo-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]thian-3-amine (3S)-1,1-dioxo-N-[3-[[(2S)-tetra…

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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) 0.52 1.82 -57.42 2 5 1 69 292.421 7 ↓
Hi High (pH 8-9.5) 0.52 0.64 -14.42 1 5 0 65 291.413 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.40 -1.21 -59.02 3 6 1 89 308.42 7 ↓
Mid Mid (pH 6-8) -0.40 -2.4 -15.6 2 6 0 85 307.412 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propan-2-ol (2R)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.40 -1.13 -59.71 3 6 1 89 308.42 7 ↓
Mid Mid (pH 6-8) -0.40 -2.34 -16.01 2 6 0 85 307.412 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propan-2-ol (2S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.40 -1.18 -59.33 3 6 1 89 308.42 7 ↓
Mid Mid (pH 6-8) -0.40 -2.42 -15.81 2 6 0 85 307.412 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propan-2-ol (2S)-1-[[(3R)-1,1-dioxothian-3-y…

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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) -0.40 -1.1 -59.36 3 6 1 89 308.42 7 ↓
Mid Mid (pH 6-8) -0.40 -2.34 -16.11 2 6 0 85 307.412 7 ↓

Parameters Provided:

ring.id = 286444
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 = 286444 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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