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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4R)-N-cyclopentyl-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-cyclopentyl-4-phenyl-4,5-…

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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) 3.38 8.42 -26.23 2 2 1 26 247.387 3 ↓

Analogs

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Popular Name: (4S)-N-cyclopentyl-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-cyclopentyl-4-phenyl-4,5-…

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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) 3.38 8.42 -26.27 2 2 1 26 247.387 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S,2R)-2-methoxycyclopentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S,2R)-2-methoxycyclope…

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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) 2.84 7.85 -24.98 2 3 1 35 277.413 4 ↓

Analogs

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Popular Name: (4R)-N-[(1S,2S)-2-methoxycyclopentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1S,2S)-2-methoxycyclope…

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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) 2.84 7.42 -27.14 2 3 1 35 277.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,2R)-2-methoxycyclopentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R,2R)-2-methoxycyclope…

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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) 2.84 7.43 -27.49 2 3 1 35 277.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,2S)-2-methoxycyclopentyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R,2S)-2-methoxycyclope…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.84 7.78 -24.94 2 3 1 35 277.413 4 ↓

Parameters Provided:

ring.id = 330846
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 = 330846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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