UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]methanamine [2-(azocan-1-yl)-4-cyclopropyl-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) 3.02 7.08 -45.88 3 3 1 44 266.434 3 ↓
Mid Mid (pH 6-8) 3.02 6.68 -5.84 2 3 0 42 265.426 3 ↓

Analogs

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Popular Name: 1-[2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]-N-methyl-methanamine 1-[2-(azocan-1-yl)-4-cyclopropyl…

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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) 3.40 9.04 -39.55 2 3 1 33 280.461 4 ↓
Hi High (pH 8-9.5) 3.40 7.6 -4.8 1 3 0 28 279.453 4 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]methyl]ethanamine N-[[2-(azocan-1-yl)-4-cyclopropy…

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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) 3.77 9.9 -38.41 2 3 1 33 294.488 5 ↓
Hi High (pH 8-9.5) 3.77 8.53 -4.58 1 3 0 28 293.48 5 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]methyl]propan-1-amine N-[[2-(azocan-1-yl)-4-cyclopropy…

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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) 4.28 10.65 -39.11 2 3 1 33 308.515 6 ↓
Hi High (pH 8-9.5) 4.28 9.29 -4.39 1 3 0 28 307.507 6 ↓

Analogs

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Popular Name: N-[[2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]methyl]propan-2-amine N-[[2-(azocan-1-yl)-4-cyclopropy…

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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) 4.07 10.42 -36.51 2 3 1 33 308.515 5 ↓
Hi High (pH 8-9.5) 4.07 9.21 -4.47 1 3 0 28 307.507 5 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-cyclopropyl-thiazole-5-carbaldehyde 2-(azocan-1-yl)-4-cyclopropyl-th…

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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) 3.63 8.79 -9.42 0 3 0 33 264.394 3 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-4-cyclopropyl-thiazole-5-carboxylic 2-(azocan-1-yl)-4-cyclopropyl-th…

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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) 3.41 9.58 -56 0 4 -1 56 279.385 3 ↓
Mid Mid (pH 6-8) 3.41 9.92 -40.42 1 4 0 58 280.393 3 ↓

Analogs

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Popular Name: [2-(azocan-1-yl)-4-cyclopropyl-thiazol-5-yl]methanol [2-(azocan-1-yl)-4-cyclopropyl-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) 3.18 6.36 -7.96 1 3 0 36 266.41 3 ↓
Mid Mid (pH 6-8) 3.18 6.72 -23.1 2 3 1 38 267.418 3 ↓

Parameters Provided:

ring.id = 290871
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 = 290871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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