UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine N-[2-(1-piperidyl)ethyl]-4,5-dih…

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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) 1.33 5.59 -87.98 3 3 2 30 215.366 4 ↓
Hi High (pH 8-9.5) 1.33 3.25 -26.46 2 3 1 29 214.358 3 ↓
Hi High (pH 8-9.5) 1.33 3.37 -27.28 2 3 1 29 214.358 4 ↓

Analogs

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Popular Name: (4R)-4-ethyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-ethyl-N-[2-(1-piperidyl)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) 2.20 7.12 -87.78 3 3 2 30 243.42 5 ↓
Hi High (pH 8-9.5) 2.20 4.89 -25.84 2 3 1 29 242.412 4 ↓
Hi High (pH 8-9.5) 2.20 4.9 -25.72 2 3 1 29 242.412 5 ↓

Analogs

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Popular Name: (4S)-4-ethyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-ethyl-N-[2-(1-piperidyl)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) 2.20 7.12 -87.75 3 3 2 30 243.42 5 ↓
Hi High (pH 8-9.5) 2.20 4.89 -25.81 2 3 1 29 242.412 4 ↓
Hi High (pH 8-9.5) 2.20 4.9 -25.72 2 3 1 29 242.412 5 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[2-(1-piperidyl)ethyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[2-(1-piperidyl)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) 2.14 6.96 -86.85 3 3 2 30 243.42 4 ↓
Hi High (pH 8-9.5) 2.14 4.73 -24.94 2 3 1 29 242.412 3 ↓
Hi High (pH 8-9.5) 2.14 4.74 -24.85 2 3 1 29 242.412 4 ↓

Analogs

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Popular Name: (5R)-5-methyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[2-(1-piperidyl)…

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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) 1.70 6.32 -87.75 3 3 2 30 229.393 4 ↓
Hi High (pH 8-9.5) 1.70 4.02 -26.18 2 3 1 29 228.385 3 ↓
Hi High (pH 8-9.5) 1.70 4.1 -26.53 2 3 1 29 228.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-5-methyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[2-(1-piperidyl)…

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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) 1.70 6.31 -87.72 3 3 2 30 229.393 4 ↓
Hi High (pH 8-9.5) 1.70 4.02 -26.34 2 3 1 29 228.385 3 ↓
Hi High (pH 8-9.5) 1.70 4.1 -26.66 2 3 1 29 228.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[2-(1-piperidyl)…

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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) 1.66 6.33 -87.58 3 3 2 30 229.393 4 ↓
Hi High (pH 8-9.5) 1.66 4.08 -25.78 2 3 1 29 228.385 3 ↓
Hi High (pH 8-9.5) 1.66 4.11 -26.27 2 3 1 29 228.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[2-(1-piperidyl)…

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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) 1.66 6.31 -87.36 3 3 2 30 229.393 4 ↓
Hi High (pH 8-9.5) 1.66 4.04 -25.82 2 3 1 29 228.385 3 ↓
Hi High (pH 8-9.5) 1.66 4.1 -25.81 2 3 1 29 228.385 4 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[2-(1-piperidy…

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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) 2.97 8.41 -89.3 3 3 2 30 271.474 6 ↓
Hi High (pH 8-9.5) 2.97 6.19 -26.57 2 3 1 29 270.466 5 ↓
Hi High (pH 8-9.5) 2.97 6.18 -26.39 2 3 1 29 270.466 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-isobutyl-N-[2-(1-piperidyl)ethyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[2-(1-piperidy…

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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) 2.97 8.4 -89.36 3 3 2 30 271.474 6 ↓
Hi High (pH 8-9.5) 2.97 6.18 -26.58 2 3 1 29 270.466 5 ↓
Hi High (pH 8-9.5) 2.97 6.18 -26.45 2 3 1 29 270.466 6 ↓

Parameters Provided:

ring.id = 591359
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 = 591359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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