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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

58283477
58283477
58283478
58283478
58283479
58283479
58283480
58283480

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5S)-6-[2-(4-methoxyanilino)-2-oxo-ethyl]-4-oxo-3,6- (2S)-N-[[(2R)-1-ethylpyrrolidin-…

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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 11.23 -92.18 4 9 2 97 529.726 11 ↓
Hi High (pH 8-9.5) 3.24 8.52 -53.84 3 9 1 103 528.718 11 ↓

Analogs

58283477
58283477
58283478
58283478
58283479
58283479
58283480
58283480

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5S)-6-[2-(4-methoxyanilino)-2-oxo-ethyl]-4-oxo-3,6- (2S)-N-[[(2S)-1-ethylpyrrolidin-…

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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 10.66 -83.99 4 9 2 97 529.726 11 ↓
Hi High (pH 8-9.5) 3.24 8.23 -50.4 3 9 1 103 528.718 11 ↓

Analogs

51047409
51047409
51047411
51047411
51055252
51055252
51055254
51055254
51055256
51055256

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5S)-6-[2-(2,5-difluoroanilino)-2-oxo-ethyl]-4-oxo-3,6-diazaspiro[4.4]nonan-3-yl]-N-[[(2R)-1 (2S)-2-[(5S)-6-[2-(2,5-difluoroa…

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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) 3.25 12.04 -89.71 4 8 2 87 535.68 10 ↓
Hi High (pH 8-9.5) 3.44 9.4 -51.5 3 8 1 94 534.672 10 ↓

Analogs

51047409
51047409
51047411
51047411
51055252
51055252
51055254
51055254
51055256
51055256

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5S)-6-[2-(2,5-difluoroanilino)-2-oxo-ethyl]-4-oxo-3,6-diazaspiro[4.4]nonan-3-yl]-N-[[(2S)-1 (2S)-2-[(5S)-6-[2-(2,5-difluoroa…

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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) 3.25 11.45 -82.11 4 8 2 87 535.68 10 ↓
Hi High (pH 8-9.5) 3.44 9.09 -49.14 3 8 1 94 534.672 10 ↓

Analogs

51047768
51047768
51055863
51055863
51055865
51055865
51055867
51055867
51055869
51055869

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5S)-6-[2-(3-cyanoanilino)-2-oxo-ethyl]-4-oxo-3,6-diazaspiro[4.4]nonan-3-yl]-N-[[(2R)-1-ethy (2S)-2-[(5S)-6-[2-(3-cyanoanilin…

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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) 2.73 12.46 -91.68 4 9 2 111 524.71 10 ↓
Hi High (pH 8-9.5) 2.92 9.97 -54.86 3 9 1 117 523.702 10 ↓

Analogs

51047768
51047768
51055863
51055863
51055865
51055865
51055867
51055867
51055869
51055869

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(5S)-6-[2-(3-cyanoanilino)-2-oxo-ethyl]-4-oxo-3,6-diazaspiro[4.4]nonan-3-yl]-N-[[(2S)-1-ethy (2S)-2-[(5S)-6-[2-(3-cyanoanilin…

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Activity (Go SEA)

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) 2.73 12.28 -99.31 4 9 2 111 524.71 10 ↓
Hi High (pH 8-9.5) 2.92 9.77 -59.79 3 9 1 117 523.702 10 ↓

Parameters Provided:

ring.id = 603891
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 = 603891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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