UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.00 3.79 -18.03 1 5 0 48 330.404 5 ↓
Lo Low (pH 4.5-6) 2.00 5.92 -44.03 2 5 1 50 331.412 5 ↓

Analogs

44651586
44651586

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Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 0.80 0.1 -17.16 2 6 0 69 310.423 5 ↓
Mid Mid (pH 6-8) 0.80 2.45 -41.85 3 6 1 70 311.431 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-piperazin-1-yl-acetamide N-(5,6-dihydro-4H-cyclopenta[d]t…

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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) 0.83 2.8 -48.12 3 5 1 62 267.378 3 ↓
Hi High (pH 8-9.5) 1.39 0.66 -9.08 2 5 0 60 266.37 2 ↓

Analogs

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Popular Name: (2S)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-piperazin-1-yl-propanamide (2S)-N-(5,6-dihydro-4H-cyclopent…

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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) 0.80 3.18 -47.54 3 5 1 62 281.405 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-piperazin-1-yl-propanamide (2R)-N-(5,6-dihydro-4H-cyclopent…

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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) 0.80 3.13 -47.7 3 5 1 62 281.405 3 ↓

Parameters Provided:

ring.id = 173417
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 = 173417 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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