UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide N-(2-cyanoethyl)-N-(3-pyridylmet…

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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) 0.16 6.33 -12.06 0 5 0 70 272.333 5 ↓
Lo Low (pH 4.5-6) 0.16 6.8 -41.93 1 5 1 71 273.341 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(3-pyridyl)ethyl]thiaz…

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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) 1.02 2.57 -10.13 1 4 0 55 233.296 3 ↓
Lo Low (pH 4.5-6) 1.02 3.06 -38.82 2 4 1 56 234.304 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-pyridyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(3-pyridyl)ethyl]thiaz…

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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) 1.02 2.57 -10.14 1 4 0 55 233.296 3 ↓
Lo Low (pH 4.5-6) 1.02 3.06 -38.81 2 4 1 56 234.304 3 ↓

Analogs

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Popular Name: N-methyl-N-(3-pyridylmethyl)thiazole-4-carboxamide N-methyl-N-(3-pyridylmethyl)thia…

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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) 0.71 4.49 -12.49 0 4 0 46 233.296 3 ↓
Lo Low (pH 4.5-6) 0.71 4.96 -33.21 1 4 1 47 234.304 3 ↓

Analogs

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Popular Name: N-[(2-methoxy-3-pyridyl)methyl]thiazole-4-carboxamide N-[(2-methoxy-3-pyridyl)methyl]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) 0.81 0.27 -11.89 1 5 0 64 249.295 4 ↓

Analogs

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Popular Name: N-isopropyl-N-(3-pyridylmethyl)thiazole-4-carboxamide N-isopropyl-N-(3-pyridylmethyl)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) 1.38 6.4 -10.64 0 4 0 46 261.35 4 ↓
Lo Low (pH 4.5-6) 1.38 6.86 -38.12 1 4 1 47 262.358 4 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)thiazole-4-carboxamide N-(2-dimethylaminoethyl)-N-(3-py…

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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) 0.74 7.14 -50.71 1 5 1 51 291.4 6 ↓
Hi High (pH 8-9.5) 0.74 4.64 -11.1 0 5 0 49 290.392 6 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]thiazole-4-carboxamide N-[(6-methoxy-3-pyridyl)methyl]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) 0.86 0.22 -10.23 1 5 0 64 249.295 4 ↓

Analogs

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Popular Name: N-[(6-methyl-3-pyridyl)methyl]thiazole-4-carboxamide N-[(6-methyl-3-pyridyl)methyl]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) 0.52 2.35 -10.23 1 4 0 55 233.296 3 ↓
Lo Low (pH 4.5-6) 0.52 2.79 -35.3 2 4 1 56 234.304 3 ↓

Analogs

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Popular Name: N-(3-pyridylmethyl)thiazole-4-carboxamide N-(3-pyridylmethyl)thiazole-4-ca…

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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) 0.46 1.74 -10.13 1 4 0 55 219.269 3 ↓
Lo Low (pH 4.5-6) 0.46 2.21 -38.58 2 4 1 56 220.277 3 ↓

Analogs

701773
701773

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Popular Name: 2-methyl-N-(3-pyridylmethyl)thiazole-4-carboxamide 2-methyl-N-(3-pyridylmethyl)thia…

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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) 0.18 2.48 -9.75 1 4 0 55 233.296 3 ↓
Lo Low (pH 4.5-6) 0.18 2.94 -38.15 2 4 1 56 234.304 3 ↓

Analogs

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Popular Name: N-[[6-(dimethylamino)-3-pyridyl]methyl]-2-methyl-thiazole-4-carboxamide N-[[6-(dimethylamino)-3-pyridyl]…

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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) 0.62 4.42 -32.75 2 5 1 59 277.373 4 ↓
Mid Mid (pH 6-8) 0.62 4.13 -10.39 1 5 0 58 276.365 4 ↓

Analogs

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Popular Name: N-[(2-isopropoxy-3-pyridyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(2-isopropoxy-3-pyridyl)methy…

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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 2.88 -11.39 1 5 0 64 291.376 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(2-propoxy-3-pyridyl)methyl]thiazole-4-carboxamide 2-methyl-N-[(2-propoxy-3-pyridyl…

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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) 1.40 2.75 -11.34 1 5 0 64 291.376 6 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-(3-pyridyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-1-(3-pyridyl)et…

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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) 0.74 3.31 -9.76 1 4 0 55 247.323 3 ↓
Lo Low (pH 4.5-6) 0.74 3.79 -38.44 2 4 1 56 248.331 3 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-(3-pyridyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-1-(3-pyridyl)et…

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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) 0.74 3.31 -9.75 1 4 0 55 247.323 3 ↓
Lo Low (pH 4.5-6) 0.74 3.79 -38.46 2 4 1 56 248.331 3 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(6-methoxy-3-pyridyl)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) 0.57 0.95 -9.83 1 5 0 64 263.322 4 ↓

Analogs

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Popular Name: N-[(6-isopropoxy-3-pyridyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(6-isopropoxy-3-pyridyl)methy…

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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) 1.31 2.82 -9.63 1 5 0 64 291.376 5 ↓

Analogs

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Popular Name: 2-methyl-N-[(6-methyl-3-pyridyl)methyl]thiazole-4-carboxamide 2-methyl-N-[(6-methyl-3-pyridyl)…

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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) 0.23 3.09 -9.89 1 4 0 55 247.323 3 ↓
Lo Low (pH 4.5-6) 0.23 3.52 -34.89 2 4 1 56 248.331 3 ↓

Analogs

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Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(2-methoxy-3-pyridyl)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) 0.52 1.02 -11.59 1 5 0 64 263.322 4 ↓

Analogs

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Popular Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-propyl-thiazole-4-carboxamide N-[[2-(dimethylamino)-3-pyridyl]…

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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) 1.64 6.41 -34.14 2 5 1 59 305.427 6 ↓
Mid Mid (pH 6-8) 1.64 5.98 -9.8 1 5 0 58 304.419 6 ↓

Analogs

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Popular Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-2-(methylamino)thiazole-4-carboxamide N-[[2-(dimethylamino)-3-pyridyl]…

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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) 0.84 4.55 -35.13 3 6 1 71 292.388 5 ↓
Mid Mid (pH 6-8) 0.84 4.04 -9.82 2 6 0 70 291.38 5 ↓

Parameters Provided:

ring.id = 265722
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 = 265722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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