UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-3-cyclopropyl-6'-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-6'-methoxy-sp…

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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) 1.60 4.28 -11.86 2 6 0 71 335.363 2 ↓

Analogs

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Popular Name: (2S)-3-cyclopropyl-6'-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-6'-methoxy-sp…

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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) 1.60 4.58 -10.74 2 6 0 71 335.363 2 ↓

Analogs

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Popular Name: (2S)-1'-allyl-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-1'-allyl-3-cyclopropyl-spir…

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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) 2.46 8.77 -11.81 1 5 0 53 345.402 3 ↓

Analogs

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Popular Name: (2S)-5'-chloro-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-chloro-3-cyclopropyl-spi…

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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) 2.23 5.77 -11.41 2 5 0 61 339.782 1 ↓

Analogs

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Popular Name: (2R)-5'-chloro-3-cyclopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-chloro-3-cyclopropyl-spi…

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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) 2.23 5.48 -12.8 2 5 0 61 339.782 1 ↓

Analogs

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Popular Name: (2R)-3-cyclopropyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-1'-methyl-spi…

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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) 1.82 7.08 -13.11 1 5 0 53 319.364 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-cyclopropyl-1'-methyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-1'-methyl-spi…

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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) 1.82 7.31 -11.87 1 5 0 53 319.364 1 ↓

Analogs

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Popular Name: (2S)-3-cyclopropyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-5'-fluoro-spi…

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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) 1.71 5.33 -12.17 2 5 0 61 323.327 1 ↓

Analogs

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Popular Name: (2R)-3-cyclopropyl-5'-fluoro-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-5'-fluoro-spi…

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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) 1.71 5.03 -13.53 2 5 0 61 323.327 1 ↓

Analogs

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Popular Name: (2S)-5'-chloro-3-cyclopropyl-6-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-5'-chloro-3-cyclopropyl-6-m…

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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) 2.26 5.06 -13.19 2 6 0 71 369.808 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5'-chloro-3-cyclopropyl-6-methoxy-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-5'-chloro-3-cyclopropyl-6-m…

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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) 2.26 4.77 -14.56 2 6 0 71 369.808 2 ↓

Analogs

41863812
41863812

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Popular Name: (2R)-3-cyclopropyl-5'-isopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2R)-3-cyclopropyl-5'-isopropyl-…

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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) 3.06 6.89 -12.25 2 5 0 61 347.418 2 ↓

Analogs

41863811
41863811

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Popular Name: (2S)-3-cyclopropyl-5'-isopropyl-spiro[1H-quinazoline-2,3'-indoline]-2',4-dione (2S)-3-cyclopropyl-5'-isopropyl-…

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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) 3.06 7.19 -10.94 2 5 0 61 347.418 2 ↓

Parameters Provided:

ring.id = 138920
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 = 138920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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