UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine N-[(5-methylpyrazin-2-yl)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) 0.55 2.34 -30.3 2 4 1 52 209.298 3 ↓

Analogs

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

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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) 1.41 3.87 -28.99 2 4 1 52 237.352 4 ↓

Analogs

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

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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) 1.41 3.87 -28.88 2 4 1 52 237.352 4 ↓

Analogs

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Popular Name: 4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]-5H-thiazol-2-amine 4,4-dimethyl-N-[(5-methylpyrazin…

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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) 1.36 3.7 -27.92 2 4 1 52 237.352 3 ↓

Analogs

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Popular Name: (5S)-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (5S)-5-methyl-N-[(5-methylpyrazi…

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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) 0.91 3.05 -29.43 2 4 1 52 223.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (5R)-5-methyl-N-[(5-methylpyrazi…

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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) 0.91 3.05 -29.71 2 4 1 52 223.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (4R)-4-methyl-N-[(5-methylpyrazi…

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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) 0.88 3.07 -29.17 2 4 1 52 223.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (4S)-4-methyl-N-[(5-methylpyrazi…

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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) 0.88 3.06 -28.93 2 4 1 52 223.325 3 ↓

Analogs

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Popular Name: 4,4-diethyl-N-[(5-methylpyrazin-2-yl)methyl]-5H-thiazol-2-amine 4,4-diethyl-N-[(5-methylpyrazin-…

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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) 2.36 4.92 -27.81 2 4 1 52 265.406 5 ↓

Analogs

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Popular Name: (4R)-4-isobutyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (4R)-4-isobutyl-N-[(5-methylpyra…

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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) 2.19 5.16 -29.65 2 4 1 52 265.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-isobutyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5-dihydrothiazol-2-amine (4S)-4-isobutyl-N-[(5-methylpyra…

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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) 2.19 5.15 -29.61 2 4 1 52 265.406 5 ↓

Parameters Provided:

ring.id = 210373
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 = 210373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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