UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5320298
5320298
5320300
5320300
8670520
8670520
8733553
8733553

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Popular Name: dimethyl 5-(4-methylphenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(4-methylphenyl)-2-ox…

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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) 1.62 7.47 -24 0 6 0 75 347.392 5 ↓

Analogs

5320272
5320272
5320274
5320274
8733552
8733552
8733555
8733555

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Popular Name: dimethyl 5-(3-chlorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(3-chlorophenyl)-2-ox…

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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 7.34 -24.45 0 6 0 75 367.81 5 ↓

Analogs

5320298
5320298
5320300
5320300
8670520
8670520
8733553
8733553

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Popular Name: dimethyl 5-[4-(tert-butyl)phenyl]-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-[4-(tert-butyl)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) 2.88 9.11 -23.48 0 6 0 75 389.473 6 ↓

Analogs

8733554
8733554

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Popular Name: dimethyl 5-(3-fluorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(3-fluorophenyl)-2-ox…

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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) 1.31 6.9 -25.05 0 6 0 75 351.355 5 ↓

Analogs

5320272
5320272
5320274
5320274
8733552
8733552
8733555
8733555

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Popular Name: dimethyl 5-(3,5-dichlorophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(3,5-dichlorophenyl)-…

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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) 2.45 0.03 -22.56 0 6 0 74 402.255 5 ↓

Analogs

8733556
8733556

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Popular Name: dimethyl 5-(4-bromophenyl)-2-oxo-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 5-(4-bromophenyl)-2-oxo…

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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) 1.98 7.45 -23.15 0 6 0 75 412.261 5 ↓

Analogs

8733557
8733557

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Popular Name: dimethyl 2-oxo-5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-2lambda~4~-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate dimethyl 2-oxo-5-[4-(trifluorome…

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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) 2.06 2.42 -23.32 0 6 0 74 401.362 6 ↓

Parameters Provided:

ring.id = 227505
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 = 227505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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