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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35497185
35497185

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Popular Name: 1-methyl-5-[(R)-methylamino(2-thienyl)methyl]indolin-2-one 1-methyl-5-[(R)-methylamino(2-th…

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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) 2.57 7.61 -47.82 2 3 1 37 273.381 3 ↓
Hi High (pH 8-9.5) 2.57 6.39 -7.25 1 3 0 32 272.373 3 ↓

Analogs

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Popular Name: 5-[(S)-amino-(5-chloro-2-thienyl)methyl]indolin-2-one 5-[(S)-amino-(5-chloro-2-thienyl…

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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) 2.75 4.44 -57.25 4 3 1 57 279.772 2 ↓
Mid Mid (pH 6-8) 2.75 4.11 -7.78 3 3 0 55 278.764 2 ↓

Analogs

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Popular Name: 5-[(R)-amino-(5-chloro-2-thienyl)methyl]indolin-2-one 5-[(R)-amino-(5-chloro-2-thienyl…

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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) 2.75 4.43 -57.28 4 3 1 57 279.772 2 ↓
Mid Mid (pH 6-8) 2.75 4.1 -8.07 3 3 0 55 278.764 2 ↓

Analogs

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Popular Name: 5-[(S)-amino-(5-chloro-2-thienyl)methyl]-1-methyl-indolin-2-one 5-[(S)-amino-(5-chloro-2-thienyl…

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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) 2.99 6.44 -57.94 3 3 1 48 293.799 2 ↓
Mid Mid (pH 6-8) 2.99 6.11 -8.38 2 3 0 46 292.791 2 ↓

Analogs

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Popular Name: 5-[(R)-amino-(5-chloro-2-thienyl)methyl]-1-methyl-indolin-2-one 5-[(R)-amino-(5-chloro-2-thienyl…

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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) 2.99 6.44 -57.98 3 3 1 48 293.799 2 ↓
Mid Mid (pH 6-8) 2.99 6.11 -8.11 2 3 0 46 292.791 2 ↓

Analogs

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Popular Name: 5-[(S)-(5-chloro-2-thienyl)-(methylamino)methyl]indolin-2-one 5-[(S)-(5-chloro-2-thienyl)-(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) 3.12 6.17 -50.74 3 3 1 46 293.799 3 ↓
Hi High (pH 8-9.5) 3.12 4.97 -7.5 2 3 0 41 292.791 3 ↓

Analogs

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Popular Name: 5-[(R)-(5-chloro-2-thienyl)-(methylamino)methyl]indolin-2-one 5-[(R)-(5-chloro-2-thienyl)-(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) 3.12 6.26 -51.03 3 3 1 46 293.799 3 ↓
Hi High (pH 8-9.5) 3.12 5.03 -7.04 2 3 0 41 292.791 3 ↓

Analogs

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Popular Name: 5-[(S)-(5-chloro-2-thienyl)-(methylamino)methyl]-1-methyl-indolin-2-one 5-[(S)-(5-chloro-2-thienyl)-(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) 3.37 8.15 -51.54 2 3 1 37 307.826 3 ↓
Hi High (pH 8-9.5) 3.37 6.95 -7.86 1 3 0 32 306.818 3 ↓

Analogs

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Popular Name: 5-[(R)-(5-chloro-2-thienyl)-(methylamino)methyl]-1-methyl-indolin-2-one 5-[(R)-(5-chloro-2-thienyl)-(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) 3.37 8.23 -51.8 2 3 1 37 307.826 3 ↓
Hi High (pH 8-9.5) 3.37 7.01 -7.46 1 3 0 32 306.818 3 ↓

Analogs

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Popular Name: 6-chloro-5-[(R)-(5-chloro-2-thienyl)-(methylamino)methyl]indolin-2-one 6-chloro-5-[(R)-(5-chloro-2-thie…

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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) 3.73 6.67 -49.47 3 3 1 46 328.244 3 ↓
Mid Mid (pH 6-8) 3.73 5.7 -5.82 2 3 0 41 327.236 3 ↓

Analogs

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Popular Name: 6-chloro-5-[(S)-(5-chloro-2-thienyl)-(methylamino)methyl]indolin-2-one 6-chloro-5-[(S)-(5-chloro-2-thie…

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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) 3.73 6.48 -48.47 3 3 1 46 328.244 3 ↓
Mid Mid (pH 6-8) 3.73 5.53 -6.65 2 3 0 41 327.236 3 ↓

Analogs

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Popular Name: 5-[(S)-(5-chloro-2-thienyl)-(ethylamino)methyl]indolin-2-one 5-[(S)-(5-chloro-2-thienyl)-(eth…

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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) 3.50 7.01 -49.1 3 3 1 46 307.826 4 ↓
Hi High (pH 8-9.5) 3.50 5.9 -7.37 2 3 0 41 306.818 4 ↓

Analogs

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Popular Name: 5-[(R)-(5-chloro-2-thienyl)-(ethylamino)methyl]indolin-2-one 5-[(R)-(5-chloro-2-thienyl)-(eth…

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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) 3.50 7.11 -49.34 3 3 1 46 307.826 4 ↓
Hi High (pH 8-9.5) 3.50 5.97 -6.93 2 3 0 41 306.818 4 ↓

Analogs

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Popular Name: 5-[(S)-(5-chloro-2-thienyl)-(ethylamino)methyl]-1-methyl-indolin-2-one 5-[(S)-(5-chloro-2-thienyl)-(eth…

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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) 3.74 8.98 -49.89 2 3 1 37 321.853 4 ↓
Hi High (pH 8-9.5) 3.74 7.87 -7.7 1 3 0 32 320.845 4 ↓

Analogs

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Popular Name: 5-[(R)-(5-chloro-2-thienyl)-(ethylamino)methyl]-1-methyl-indolin-2-one 5-[(R)-(5-chloro-2-thienyl)-(eth…

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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) 3.74 9.07 -50.03 2 3 1 37 321.853 4 ↓
Hi High (pH 8-9.5) 3.74 7.94 -7.28 1 3 0 32 320.845 4 ↓

Analogs

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Popular Name: 6-chloro-5-[(R)-(5-chloro-2-thienyl)-(ethylamino)methyl]indolin-2-one 6-chloro-5-[(R)-(5-chloro-2-thie…

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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) 4.10 7.51 -47.12 3 3 1 46 342.271 4 ↓
Mid Mid (pH 6-8) 4.10 6.62 -5.6 2 3 0 41 341.263 4 ↓

Analogs

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Popular Name: 6-chloro-5-[(S)-(5-chloro-2-thienyl)-(ethylamino)methyl]indolin-2-one 6-chloro-5-[(S)-(5-chloro-2-thie…

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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) 4.10 7.32 -45.94 3 3 1 46 342.271 4 ↓
Mid Mid (pH 6-8) 4.10 6.44 -6.47 2 3 0 41 341.263 4 ↓

Analogs

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Popular Name: 5-[(S)-(5-chloro-2-thienyl)-(propylamino)methyl]indolin-2-one 5-[(S)-(5-chloro-2-thienyl)-(pro…

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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) 4.00 7.84 -50.13 3 3 1 46 321.853 5 ↓
Hi High (pH 8-9.5) 4.00 6.73 -7.29 2 3 0 41 320.845 5 ↓

Analogs

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Popular Name: 5-[(R)-(5-chloro-2-thienyl)-(propylamino)methyl]indolin-2-one 5-[(R)-(5-chloro-2-thienyl)-(pro…

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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) 4.00 7.85 -50.16 3 3 1 46 321.853 5 ↓
Hi High (pH 8-9.5) 4.00 6.76 -7.16 2 3 0 41 320.845 5 ↓

Parameters Provided:

ring.id = 17193
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 = 17193 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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