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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-[(2-methylthiazol-4-yl)methyl]pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-[(2-met…

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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) -0.75 2.17 -57.12 4 5 1 83 287.368 3 ↓
Mid Mid (pH 6-8) -0.75 1.76 -9.91 3 5 0 81 286.36 3 ↓

Analogs

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Popular Name: 3,6-dichloro-N-[(2-methylthiazol-4-yl)methyl]pyridine-2-carboxamide 3,6-dichloro-N-[(2-methylthiazol…

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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) 2.28 3.59 -9.18 1 4 0 55 302.186 3 ↓

Analogs

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Popular Name: 4-chloro-N-[(2-methylthiazol-4-yl)methyl]pyridine-2-carboxamide 4-chloro-N-[(2-methylthiazol-4-y…

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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) 1.26 3.16 -9.36 1 4 0 55 267.741 3 ↓

Analogs

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Popular Name: methyl 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) 0.15 3.27 -11.17 1 6 0 81 291.332 5 ↓

Analogs

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Popular Name: 3-chloro-6-ethoxy-N-[(2-methylthiazol-4-yl)methyl]pyridine-2-carboxamide 3-chloro-6-ethoxy-N-[(2-methylth…

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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) 2.03 2.68 -9.26 1 5 0 64 311.794 5 ↓

Analogs

44609909
44609909

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Popular Name: 3-hydroxy-N-[(2-methylthiazol-4-yl)methyl]pyridine-2-carboxamide 3-hydroxy-N-[(2-methylthiazol-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) 0.36 1.21 -12.52 2 5 0 75 249.295 3 ↓
Hi High (pH 8-9.5) 0.36 2.69 -39.97 2 5 0 79 249.295 3 ↓
Mid Mid (pH 6-8) 0.36 2.22 -53.99 1 5 -1 78 248.287 3 ↓

Analogs

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Popular Name: 2-methyl-6-[(2-methylthiazol-4-yl)methylcarbamoyl]pyridine-3-carboxylic 2-methyl-6-[(2-methylthiazol-4-y…

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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) 0.21 3.83 -45.53 1 6 -1 95 290.324 4 ↓

Analogs

42462571
42462571

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Popular Name: 3,6-dichloro-N-methyl-N-(thiazol-4-ylmethyl)pyridine-2-carboxamide 3,6-dichloro-N-methyl-N-(thiazol…

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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) 2.81 5.54 -7.47 0 4 0 46 302.186 3 ↓

Analogs

49036262
49036262
49045146
49045146
50407418
50407418
50407714
50407714
60064213
60064213

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-methyl-N-(thiazol-4-ylmethyl)pyridine-2-carboxamide 4-chloro-N-methyl-N-(thiazol-4-y…

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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) 1.79 5.13 -8 0 4 0 46 267.741 3 ↓

Analogs

49427358
49427358
50683338
50683338
36778475
36778475

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Popular Name: 6-[methyl(thiazol-4-ylmethyl)carbamoyl]pyridine-3-carboxylic 6-[methyl(thiazol-4-ylmethyl)car…

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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) 0.35 5.18 -43.07 0 6 -1 86 276.297 4 ↓

Parameters Provided:

ring.id = 9070
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 = 9070 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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