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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)-3-[(1,1-dioxothian-4-yl)amino]-5-methyl-indolin-2-one (3S)-3-[(1,1-dioxothian-4-yl)ami…

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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) 0.89 1.67 -56.07 3 5 1 80 295.384 2 ↓
Mid Mid (pH 6-8) 0.89 0.7 -17.04 2 5 0 75 294.376 2 ↓

Analogs

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Popular Name: (3S)-3-[(1,1-dioxothian-4-yl)amino]indolin-2-one (3S)-3-[(1,1-dioxothian-4-yl)ami…

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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) 0.46 1.01 -56.4 3 5 1 80 281.357 2 ↓
Mid Mid (pH 6-8) 0.46 0.03 -17.48 2 5 0 75 280.349 2 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-[(1,1-dioxothian-4-yl)amino]indolin-2-one (3R)-6-bromo-3-[(1,1-dioxothian-…

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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) 1.25 1.84 -59.27 3 5 1 80 360.253 2 ↓
Mid Mid (pH 6-8) 1.25 0.74 -13.55 2 5 0 75 359.245 2 ↓

Analogs

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Popular Name: (3S)-3-[(1,1-dioxothian-4-yl)amino]-5-fluoro-indolin-2-one (3S)-3-[(1,1-dioxothian-4-yl)ami…

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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) 0.60 1.07 -58.34 3 5 1 80 299.347 2 ↓
Mid Mid (pH 6-8) 0.60 0.11 -16.96 2 5 0 75 298.339 2 ↓

Analogs

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Popular Name: (3S)-5-chloro-3-[(1,1-dioxothian-4-yl)amino]indolin-2-one (3S)-5-chloro-3-[(1,1-dioxothian…

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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) 1.12 1.51 -57.55 3 5 1 80 315.802 2 ↓
Mid Mid (pH 6-8) 1.12 0.55 -16.57 2 5 0 75 314.794 2 ↓

Analogs

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Popular Name: (3S)-4-bromo-3-[(1,1-dioxothian-4-yl)amino]indolin-2-one (3S)-4-bromo-3-[(1,1-dioxothian-…

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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) 1.22 0.76 -14.08 2 5 0 75 359.245 2 ↓
Mid Mid (pH 6-8) 1.22 1.88 -47.04 3 5 1 80 360.253 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-bromo-3-[(1,1-dioxothian-4-yl)amino]indolin-2-one (3S)-5-bromo-3-[(1,1-dioxothian-…

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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) 1.25 1.61 -57.42 3 5 1 80 360.253 2 ↓
Mid Mid (pH 6-8) 1.25 0.66 -16.44 2 5 0 75 359.245 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(1,1-dioxothian-4-yl)amino]-6-fluoro-indolin-2-one (3R)-3-[(1,1-dioxothian-4-yl)ami…

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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) 0.60 1.3 -59.85 3 5 1 80 299.347 2 ↓
Mid Mid (pH 6-8) 0.60 0.19 -14.01 2 5 0 75 298.339 2 ↓

Parameters Provided:

ring.id = 89202
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 = 89202 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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