UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-isopropylpiperazin-1-yl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-isopro…

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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) 1.93 5.43 -28.89 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 1.93 7.8 -91.26 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-(4-isopropylpiperazin-1-yl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-isopro…

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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) 1.93 5.43 -28.91 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 1.93 7.8 -91.4 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-methylpiperazin-1-yl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-methyl…

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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) 1.25 4.29 -29.13 1 3 1 20 279.227 2 ↓
Mid Mid (pH 6-8) 1.25 6.64 -92.44 2 3 2 22 280.235 2 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-(4-methylpiperazin-1-yl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-methyl…

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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) 1.25 4.29 -29.13 1 3 1 20 279.227 2 ↓
Mid Mid (pH 6-8) 1.25 6.64 -92.45 2 3 2 22 280.235 2 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(4-ethylp…

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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) 1.63 5.08 -29.1 1 3 1 20 293.254 3 ↓
Mid Mid (pH 6-8) 1.63 7.3 -92.28 2 3 2 22 294.262 3 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(4-ethylp…

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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) 1.63 5.08 -29.08 1 3 1 20 293.254 3 ↓
Mid Mid (pH 6-8) 1.63 7.3 -92.24 2 3 2 22 294.262 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-3,4…

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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) 1.58 4.83 -29.04 1 3 1 20 293.254 2 ↓
Mid Mid (pH 6-8) 1.58 7.11 -91.09 2 3 2 22 294.262 2 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-3,4…

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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) 1.58 4.82 -29.02 1 3 1 20 293.254 2 ↓
Mid Mid (pH 6-8) 1.58 7.11 -90.97 2 3 2 22 294.262 2 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-4-e…

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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) 1.96 5.62 -28.93 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 1.96 7.75 -90.18 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-4-ethyl-3-methyl-piperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-4-e…

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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) 1.96 5.62 -28.93 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 1.96 7.75 -90.26 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3R)-3-ethyl-4-methyl-piperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3R)-3-e…

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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 5.43 -29.09 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 2.12 7.71 -92.29 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-[(3S)-3-ethyl-4-methyl-piperazin-1-yl]-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-[(3S)-3-e…

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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 5.42 -29.07 1 3 1 20 307.281 3 ↓
Mid Mid (pH 6-8) 2.12 7.74 -92.17 2 3 2 22 308.289 3 ↓

Analogs

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Popular Name: (5R)-5-(bromomethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-4,5-dihydrothiazole (5R)-5-(bromomethyl)-2-(3,3,4-tr…

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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 5.4 -28.98 1 3 1 20 307.281 2 ↓
Mid Mid (pH 6-8) 2.06 7.6 -90.09 2 3 2 22 308.289 2 ↓

Analogs

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Popular Name: (5S)-5-(bromomethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-4,5-dihydrothiazole (5S)-5-(bromomethyl)-2-(3,3,4-tr…

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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 5.4 -29.03 1 3 1 20 307.281 2 ↓
Mid Mid (pH 6-8) 2.06 7.61 -90.03 2 3 2 22 308.289 2 ↓

Parameters Provided:

ring.id = 444262
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 = 444262 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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