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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: (3S)-N-(3-morpholinopropyl)-1,1-dioxo-thian-3-amine (3S)-N-(3-morpholinopropyl)-1,1-…

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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) 0.03 -0.05 -58.71 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.03 1.02 -46.17 2 5 1 60 277.41 5 ↓
Mid Mid (pH 6-8) 0.03 -1.24 -12.2 1 5 0 59 276.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 0.03 -0.06 -58.73 2 5 1 63 277.41 5 ↓
Mid Mid (pH 6-8) 0.03 -1.27 -12.39 1 5 0 59 276.402 5 ↓
Mid Mid (pH 6-8) 0.03 0.99 -45.99 2 5 1 60 277.41 5 ↓

Analogs

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Popular Name: (2S)-1-[[(3S)-1,1-dioxothian-3-yl]amino]-3-morpholino-propan-2-ol (2S)-1-[[(3S)-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) -0.88 -3.13 -58.76 3 6 1 83 293.409 5 ↓
Hi High (pH 8-9.5) -0.88 -4.34 -13.11 2 6 0 79 292.401 5 ↓
Mid Mid (pH 6-8) -0.88 -0.88 -126.75 4 6 2 85 294.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-morpholino-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) -0.88 -3.12 -58.7 3 6 1 83 293.409 5 ↓
Hi High (pH 8-9.5) -0.88 -4.35 -13.2 2 6 0 79 292.401 5 ↓
Mid Mid (pH 6-8) -0.88 -0.86 -126.73 4 6 2 85 294.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3S)-1,1-dioxothian-3-yl]amino]-3-morpholino-propan-2-ol (2R)-1-[[(3S)-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) -0.88 -3.23 -58.83 3 6 1 83 293.409 5 ↓
Hi High (pH 8-9.5) -0.88 -4.48 -13.32 2 6 0 79 292.401 5 ↓
Mid Mid (pH 6-8) -0.88 -0.91 -126.85 4 6 2 85 294.417 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(3R)-1,1-dioxothian-3-yl]amino]-3-morpholino-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) -0.88 -3.23 -58.92 3 6 1 83 293.409 5 ↓
Hi High (pH 8-9.5) -0.88 -4.52 -13.31 2 6 0 79 292.401 5 ↓
Mid Mid (pH 6-8) -0.88 -0.92 -126.89 4 6 2 85 294.417 5 ↓

Parameters Provided:

ring.id = 286420
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 = 286420 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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