UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-4-methyl-piperidine-4-carboxylic 1-(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) 1.98 7.69 -57.15 1 6 -1 85 308.383 2 ↓

Analogs

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Popular Name: (3S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(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) 1.98 8.14 -61.73 1 6 -1 85 308.383 2 ↓

Analogs

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Popular Name: (3R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-3-methyl-piperidine-3-carboxylic (3R)-1-(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) 1.98 8.14 -61.57 1 6 -1 85 308.383 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic (3S)-1-(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) 1.73 7.41 -49.55 1 6 -1 85 294.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic (3R)-1-(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) 1.73 7.38 -61.39 1 6 -1 85 294.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)piperidine-4-carboxylic 1-(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) 1.73 7.46 -56.5 1 6 -1 85 294.356 2 ↓

Analogs

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Popular Name: (2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)piperidine-2-carboxylic (2S)-1-(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) 0.40 8.42 -76.84 1 6 -1 85 294.356 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)piperidine-2-carboxylic (2R)-1-(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) 0.40 8.23 -75.67 1 6 -1 85 294.356 2 ↓

Analogs

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Popular Name: 2-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-2-piperidyl]acetic 2-[(2S)-1-(5,6-dihydro-4H-cyclop…

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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) 2.12 8.84 -74.19 1 6 -1 85 308.383 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-ylcarbamoyl)-2-piperidyl]acetic 2-[(2R)-1-(5,6-dihydro-4H-cyclop…

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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) 2.12 8.81 -74.09 1 6 -1 85 308.383 3 ↓

Parameters Provided:

ring.id = 288554
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 = 288554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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