UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 4-[(6-(anilinocarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoate methyl 4-[(6-(anilinocarbonyl)-5…

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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) 6.53 1.56 -15.86 1 7 0 89 527.577 6 ↓

Analogs

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Popular Name: 2-(2,3-dichlorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 2-(2,3-dichlorobenzylidene)-5-(4…

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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) 7.62 0.61 -13.02 1 5 0 63 538.431 4 ↓

Analogs

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Popular Name: 2-(2,3-dichlorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 2-(2,3-dichlorobenzylidene)-5-(4…

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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) 7.62 0.17 -11.84 1 5 0 63 538.431 4 ↓

Analogs

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Popular Name: ethyl {4-[(6-(anilinocarbonyl)-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetate ethyl {4-[(6-(anilinocarbonyl)-5…

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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) 7.17 0.72 -18.72 1 8 0 99 588.085 9 ↓

Analogs

8432520
8432520

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Popular Name: (2Z,5R)-2-(3-fluorobenzylidene)-3-keto-5-(4-methoxyphenyl)-7-methyl-N-phenyl-5H-thiazolo[3,2-a]pyrim (2Z,5R)-2-(3-fluorobenzylidene)-…

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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) 6.40 13.15 -17.13 1 6 0 73 499.567 5 ↓

Analogs

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Popular Name: 2-[4-[(Z)-[(5R)-3-keto-7-methyl-5-p-cumenyl-6-(phenylcarbamoyl)-5H-thiazolo[3,2-a]pyrimidin-2-yliden 2-[4-[(Z)-[(5R)-3-keto-7-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) 7.01 0.97 -55.28 1 8 -1 112 566.659 8 ↓

Analogs

14257354
14257354
14257388
14257388
20568944
20568944
32115809
32115809
1824179
1824179

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Popular Name: (2E,5R)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(p-tolylmethylene)-5H-thiazolo[3,2-a]pyrimidine (2E,5R)-5-(4-fluorophenyl)-7-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) 6.81 14.61 -12.63 1 5 0 63 483.568 4 ↓

Analogs

14257388
14257388
20568944
20568944
32115809
32115809
14257353
14257353

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Popular Name: (2E,5S)-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-2-(p-tolylmethylene)-5H-thiazolo[3,2-a]pyrimidine (2E,5S)-5-(4-fluorophenyl)-7-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) 6.81 14.41 -13.2 1 5 0 63 483.568 4 ↓

Analogs

14257379
14257379
2313409
2313409
2313407
2313407

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Popular Name: (2E,5R)-2-[(4-chlorophenyl)methylene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]p (2E,5R)-2-[(4-chlorophenyl)methy…

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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) 7.04 14.45 -13.19 1 5 0 63 503.986 4 ↓

Analogs

2313409
2313409
2313407
2313407

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Popular Name: (2E,5S)-2-[(4-chlorophenyl)methylene]-5-(4-fluorophenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]p (2E,5S)-2-[(4-chlorophenyl)methy…

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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) 7.04 14.23 -13.16 1 5 0 63 503.986 4 ↓

Analogs

20568944
20568944
32115809
32115809
14257353
14257353

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Popular Name: (2E,5R)-5-(4-fluorophenyl)-2-[(4-isopropylphenyl)methylene]-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2- (2E,5R)-5-(4-fluorophenyl)-2-[(4…

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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) 7.88 15.88 -12.28 1 5 0 63 511.622 5 ↓

Parameters Provided:

ring.id = 230378
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 = 230378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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