UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-PYRIDIN-4-YL-THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER HYDROBROMATE 4-PYRIDIN-4-YL-THIAZOLE-2-CARBOX…

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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) 1.19 5.08 -12.37 0 4 0 52 234.28 4 ↓

Analogs

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Popular Name: 2-methyl-4-(4-pyridyl)thiazole-5-carboxylic 2-methyl-4-(4-pyridyl)thiazole-5…

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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) 0.78 4.72 -48.39 0 4 -1 66 219.245 2 ↓

Analogs

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Popular Name: (2S)-2-butylsulfanyl-N-[(1S)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]propanamide (2S)-2-butylsulfanyl-N-[(1S)-1-[…

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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) 2.75 7.63 -14.19 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: (2R)-2-butylsulfanyl-N-[(1S)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]propanamide (2R)-2-butylsulfanyl-N-[(1S)-1-[…

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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) 2.75 7.63 -14.48 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: (2S)-2-butylsulfanyl-N-[(1R)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]propanamide (2S)-2-butylsulfanyl-N-[(1R)-1-[…

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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) 2.75 7.63 -14.51 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: (2R)-2-butylsulfanyl-N-[(1R)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]propanamide (2R)-2-butylsulfanyl-N-[(1R)-1-[…

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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) 2.75 7.63 -14.12 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: 2-isopentylsulfanyl-N-[(1S)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]acetamide 2-isopentylsulfanyl-N-[(1S)-1-[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) 2.60 7.56 -14.54 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: 2-isopentylsulfanyl-N-[(1R)-1-[4-(4-pyridyl)thiazol-2-yl]ethyl]acetamide 2-isopentylsulfanyl-N-[(1R)-1-[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) 2.60 7.56 -14.45 1 4 0 55 349.525 8 ↓

Analogs

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Popular Name: 5-oxo-5-[[4-(4-pyridyl)thiazol-2-yl]amino]pentanoic 5-oxo-5-[[4-(4-pyridyl)thiazol-2…

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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) 0.85 5.99 -54.39 1 6 -1 95 290.324 6 ↓

Analogs

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Popular Name: 4-oxo-4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]butanoic acid 4-oxo-4-[(4-pyridin-4-yl-1,3-thi…

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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) 0.34 5.2 -46.22 1 6 -1 95 276.297 5 ↓
Lo Low (pH 4.5-6) 0.34 3.23 -12.63 2 6 0 92 277.305 5 ↓

Analogs

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Popular Name: N-methyl-2-[4-(4-pyridyl)thiazol-2-yl]ethanamine N-methyl-2-[4-(4-pyridyl)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) 0.95 4.21 -46.04 2 3 1 42 220.321 4 ↓

Analogs

8615661
8615661

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Popular Name: 5-Methyl-4-(pyridin-4-yl)thiazol-2-amine 5-Methyl-4-(pyridin-4-yl)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) 1.08 3.35 -7.62 2 3 0 52 191.259 1 ↓

Parameters Provided:

ring.id = 19969
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 = 19969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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