UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2Z)-2-(3-ethylthiazolidin-2-ylidene)-N-phenyl-ethanimine (2Z)-2-(3-ethylthiazolidin-2-yli…

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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) 2.90 -0.19 -9.08 0 2 0 16 232.352 3 ↓
Mid Mid (pH 6-8) 2.90 8.49 -17.34 2 2 0 18 234.368 3 ↓

Analogs

19909081
19909081
33955115
33955115
4013582
4013582

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Popular Name: 3-methyl-5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-2-thioxo-1,3-oxazolidin-4-one 3-methyl-5-[2-(3-methyl-1,3-thia…

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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) 0.31 5 -15.4 0 4 0 38 256.352 1 ↓

Analogs

19806009
19806009
5298134
5298134

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Popular Name: (5Z)-3-butyl-5-[(2E)-2-(3-methylthiazolidin-2-ylidene)ethylidene]-2-thioxo-thiazolidin-4-one (5Z)-3-butyl-5-[(2E)-2-(3-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) 2.39 8.81 -14.47 0 3 0 25 314.501 4 ↓

Analogs

31320032
31320032
31320036
31320036
31320040
31320040
5173712
5173712
5851429
5851429

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Popular Name: (5Z)-3-ethyl-5-[(2Z)-2-(3-ethylthiazolidin-2-ylidene)-1-methyl-ethylidene]-2-thioxo-thiazolidin-4-on (5Z)-3-ethyl-5-[(2Z)-2-(3-ethylt…

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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) 2.15 8.71 -12.97 0 3 0 25 314.501 3 ↓
Lo Low (pH 4.5-6) 2.15 8.01 -37.51 1 3 1 26 315.509 3 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (7S)-6-acetyl-5-methyl-7-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile (7S)-6-acetyl-5-methyl-7-phenyl-…

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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) 3.10 9.97 -11.1 0 3 0 44 296.395 2 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (7R)-6-acetyl-5-methyl-7-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile (7R)-6-acetyl-5-methyl-7-phenyl-…

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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) 3.10 9.87 -11.26 0 3 0 44 296.395 2 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (5S)-5-(4-bromophenyl)-8,8-dimethyl-6-oxo-2,5,7,9-tetrahydro-1H-thiazolo[3,2-a]quinoline-4-carbonitr (5S)-5-(4-bromophenyl)-8,8-dimet…

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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) 4.72 12.13 -18.61 0 3 0 44 415.356 1 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (5R)-5-(4-bromophenyl)-8,8-dimethyl-6-oxo-2,5,7,9-tetrahydro-1H-thiazolo[3,2-a]quinoline-4-carbonitr (5R)-5-(4-bromophenyl)-8,8-dimet…

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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) 4.72 12.11 -18.74 0 3 0 44 415.356 1 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (5S)-5-(4-dimethylaminophenyl)-8,8-dimethyl-6-oxo-2,5,7,9-tetrahydro-1H-thiazolo[3,2-a]quinoline-4-c (5S)-5-(4-dimethylaminophenyl)-8…

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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) 4.01 11.88 -20.78 0 4 0 47 379.529 2 ↓

Analogs

6962268
6962268
6962269
6962269

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Popular Name: (5R)-5-(4-dimethylaminophenyl)-8,8-dimethyl-6-oxo-2,5,7,9-tetrahydro-1H-thiazolo[3,2-a]quinoline-4-c (5R)-5-(4-dimethylaminophenyl)-8…

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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) 4.01 11.87 -20.84 0 4 0 47 379.529 2 ↓

Parameters Provided:

ring.id = 40833
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 = 40833 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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