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

Analogs

8742303
8742303
8742304
8742304

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Popular Name: methyl methyl

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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) 0.54 1.32 -12.19 2 8 0 123 417.45 4 ↓

Analogs

8742303
8742303
8742304
8742304
8964939
8964939
8964940
8964940

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Popular Name: methyl methyl

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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) 0.54 1.33 -12.06 2 8 0 123 417.45 4 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 0.99 1.26 -11.9 2 9 0 126 450.476 6 ↓

Analogs

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Popular Name: dimethyl dimethyl

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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) 0.99 1.23 -12.17 2 9 0 126 450.476 6 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.91 8.36 -12.02 2 8 0 124 417.45 4 ↓
Lo Low (pH 4.5-6) 0.91 8.82 -40.29 3 8 1 125 418.458 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.91 8.37 -12.05 2 8 0 124 417.45 4 ↓
Lo Low (pH 4.5-6) 0.91 8.83 -40.19 3 8 1 125 418.458 4 ↓

Analogs

8780944
8780944

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Popular Name: (2Z,7S)-5-amino-7-(3-isobutoxyphenyl)-2-[(3-isobutoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7S)-5-amino-7-(3-isobutoxyph…

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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) 5.72 3.98 -12.12 2 7 0 114 526.662 8 ↓

Analogs

12401641
12401641

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Popular Name: (2Z,7R)-5-amino-7-(4-isopropoxyphenyl)-2-[(4-isopropoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyr (2Z,7R)-5-amino-7-(4-isopropoxyp…

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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) 5.00 3.72 -11.48 2 7 0 114 498.608 6 ↓

Analogs

12401640
12401640

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Popular Name: (2Z,7S)-5-amino-7-(4-isopropoxyphenyl)-2-[(4-isopropoxyphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyr (2Z,7S)-5-amino-7-(4-isopropoxyp…

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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) 5.00 3.7 -11.58 2 7 0 114 498.608 6 ↓

Analogs

13739454
13739454
13739455
13739455
16323078
16323078
16323080
16323080
32107550
32107550

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Popular Name: (2Z,7R)-5-amino-7-(4-isopropylphenyl)-2-[(4-isopropylphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7R)-5-amino-7-(4-isopropylph…

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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) 6.44 4.65 -8.16 2 5 0 96 466.61 4 ↓

Analogs

13739454
13739454
13739455
13739455
16323078
16323078
16323080
16323080
32107550
32107550

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,7S)-5-amino-7-(4-isopropylphenyl)-2-[(4-isopropylphenyl)methylene]-3-oxo-7H-thiazolo[2,3-f]pyrid (2Z,7S)-5-amino-7-(4-isopropylph…

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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) 6.44 4.66 -8.21 2 5 0 96 466.61 4 ↓

Analogs

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Popular Name: (2E,7S)-5-amino-3-keto-2-(2-nitrobenzylidene)-7-(2-nitrophenyl)-7H-thiazolo[3,2-a]pyridine-6,8-dicar (2E,7S)-5-amino-3-keto-2-(2-nitr…

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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) 2.76 12.32 -18.87 2 11 0 187 472.442 4 ↓

Analogs

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Popular Name: (2Z,7S)-5-amino-3-keto-2-(2-nitrobenzylidene)-7-(2-nitrophenyl)-7H-thiazolo[3,2-a]pyridine-6,8-dicar (2Z,7S)-5-amino-3-keto-2-(2-nitr…

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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) 2.76 3.49 -21.28 2 11 0 187 472.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,7R)-5-amino-3-keto-2-(2-nitrobenzylidene)-7-(2-nitrophenyl)-7H-thiazolo[3,2-a]pyridine-6,8-dicar (2E,7R)-5-amino-3-keto-2-(2-nitr…

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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) 2.76 12.5 -20.37 2 11 0 187 472.442 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z,7R)-5-amino-3-keto-2-(2-nitrobenzylidene)-7-(2-nitrophenyl)-7H-thiazolo[3,2-a]pyridine-6,8-dicar (2Z,7R)-5-amino-3-keto-2-(2-nitr…

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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) 2.76 3.12 -19.49 2 11 0 187 472.442 4 ↓

Analogs

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Popular Name: 6-ethyl 8-methyl 5-amino-2-[4-(methoxycarbonyl)benzylidene]-7-[4-(methoxycarbonyl)phenyl]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate 6-ethyl 8-methyl 5-amino-2-[4-(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) 4.28 5.05 -15.57 2 11 0 153 578.599 11 ↓

Analogs

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Popular Name: 6-ethyl 8-methyl 5-amino-2-[4-(methoxycarbonyl)benzylidene]-7-[4-(methoxycarbonyl)phenyl]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate 6-ethyl 8-methyl 5-amino-2-[4-(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) 4.28 5.11 -14.56 2 11 0 153 578.599 11 ↓

Parameters Provided:

ring.id = 4787
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 = 4787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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