UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 3.50 11.45 -13.85 0 7 0 77 450.87 7 ↓

Analogs

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Popular Name: 1-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-4- 1-[2-[[8-chloro-6-(trifluorometh…

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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) 1.99 6.56 -16.73 2 7 0 94 421.832 5 ↓

Analogs

36636741
36636741
36636737
36636737
11507104
11507104
11507110
11507110

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Popular Name: 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-[(2R)-2-ethyl-1-pipe 2-[[8-chloro-6-(trifluoromethyl)…

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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) 4.26 11.11 -9.07 0 5 0 51 406.861 5 ↓

Analogs

36636737
36636737
36636739
36636739
11507104
11507104

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Popular Name: 2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-[(2S)-2-ethyl-1-pipe 2-[[8-chloro-6-(trifluoromethyl)…

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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) 4.26 11.12 -8.93 0 5 0 51 406.861 5 ↓

Analogs

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Popular Name: (3R)-1-[2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,5-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-3-car (3R)-1-[2-[[6-(diethylsulfamoyl)…

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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) 1.07 7.71 -61.09 0 10 -1 128 454.554 8 ↓

Analogs

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Popular Name: (3S)-1-[2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,5-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-3-car (3S)-1-[2-[[6-(diethylsulfamoyl)…

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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) 1.07 7.76 -61.03 0 10 -1 128 454.554 8 ↓

Analogs

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Popular Name: 1-[2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,5-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-4-carboxyl 1-[2-[[6-(diethylsulfamoyl)-[1,2…

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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) 1.07 7.71 -58.78 0 10 -1 128 454.554 8 ↓

Analogs

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Popular Name: (2R)-1-[2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,5-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-2-car (2R)-1-[2-[[6-(diethylsulfamoyl)…

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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) -0.26 8.8 -70.62 0 10 -1 128 454.554 8 ↓

Analogs

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Popular Name: (2S)-1-[2-[[6-(diethylsulfamoyl)-[1,2,4]triazolo[4,5-a]pyridin-3-yl]sulfanyl]acetyl]piperidine-2-car (2S)-1-[2-[[6-(diethylsulfamoyl)…

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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) -0.26 8.72 -70.52 0 10 -1 128 454.554 8 ↓

Analogs

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Popular Name: (3R)-1-[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylsulfanyl)acetyl]piperidine-3-carboxylic (3R)-1-[2-([1,2,4]triazolo[4,5-a…

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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) 1.05 8.06 -60.35 0 7 -1 91 319.366 4 ↓

Analogs

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Popular Name: (3S)-1-[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylsulfanyl)acetyl]piperidine-3-carboxylic (3S)-1-[2-([1,2,4]triazolo[4,5-a…

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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) 1.05 8.07 -60.32 0 7 -1 91 319.366 4 ↓

Analogs

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Popular Name: (2S)-1-[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylsulfanyl)acetyl]piperidine-2-carboxylic (2S)-1-[2-([1,2,4]triazolo[4,5-a…

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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) -0.28 9.03 -69.92 0 7 -1 91 319.366 4 ↓

Analogs

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Popular Name: (2R)-1-[2-([1,2,4]triazolo[4,5-a]pyridin-3-ylsulfanyl)acetyl]piperidine-2-carboxylic (2R)-1-[2-([1,2,4]triazolo[4,5-a…

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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) -0.28 9.11 -70.11 0 7 -1 91 319.366 4 ↓

Analogs

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Popular Name: (3R)-1-[2-[(6,8-dichloro-[1,2,4]triazolo[4,5-a]pyridin-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic (3R)-1-[2-[(6,8-dichloro-[1,2,4]…

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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) 2.29 9.03 -55.37 0 7 -1 91 388.256 4 ↓

Analogs

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Popular Name: (3S)-1-[2-[(6,8-dichloro-[1,2,4]triazolo[4,5-a]pyridin-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic (3S)-1-[2-[(6,8-dichloro-[1,2,4]…

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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) 2.29 9.05 -55.37 0 7 -1 91 388.256 4 ↓

Analogs

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Popular Name: (2S)-1-[2-[(6,8-dichloro-[1,2,4]triazolo[4,5-a]pyridin-3-yl)sulfanyl]acetyl]piperidine-2-carboxylic (2S)-1-[2-[(6,8-dichloro-[1,2,4]…

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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) 0.96 10.01 -63.71 0 7 -1 91 388.256 4 ↓

Analogs

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Popular Name: (2R)-1-[2-[(6,8-dichloro-[1,2,4]triazolo[4,5-a]pyridin-3-yl)sulfanyl]acetyl]piperidine-2-carboxylic (2R)-1-[2-[(6,8-dichloro-[1,2,4]…

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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) 0.96 10.08 -63.94 0 7 -1 91 388.256 4 ↓

Parameters Provided:

ring.id = 102371
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 = 102371 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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