UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-(tetrazolo[1,5-a]pyrazin-5-yl)-4-piperidyl]methanamine N-methyl-1-[1-(tetrazolo[1,5-a]p…

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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) 0.51 4.12 -52.7 2 7 1 76 248.314 3 ↓

Analogs

52290775
52290775
52290782
52290782
52290785
52290785
44610012
44610012
44610030
44610030

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)-4-piperidyl]methyl]ethanamine N-[[1-(tetrazolo[1,5-a]pyrazin-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) 0.53 4.99 -51.74 2 7 1 76 262.341 4 ↓

Analogs

44610012
44610012
44610030
44610030
44610089
44610089
44610090
44610090
44610142
44610142

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)-4-piperidyl]methyl]propan-1-amine N-[[1-(tetrazolo[1,5-a]pyrazin-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) 1.04 5.74 -52.89 2 7 1 76 276.368 5 ↓

Analogs

44609996
44609996
44610012
44610012
44610030
44610030
44610047
44610047
44610145
44610145

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(tetrazolo[1,5-a]pyrazin-5-yl)-4-piperidyl]methyl]propan-2-amine N-[[1-(tetrazolo[1,5-a]pyrazin-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) 1.18 5.49 -50.69 2 7 1 76 276.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxylic 4-methyl-1-(tetrazolo[1,5-a]pyra…

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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 5.03 -49.39 0 8 -1 99 261.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxylic 4-ethyl-1-(tetrazolo[1,5-a]pyraz…

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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 5.52 -48.41 0 8 -1 99 275.292 3 ↓
Lo Low (pH 4.5-6) 0.55 3.67 -11.82 1 8 0 97 276.3 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxylic 4-propyl-1-(tetrazolo[1,5-a]pyra…

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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) 1.11 6.25 -49 0 8 -1 99 289.319 4 ↓
Lo Low (pH 4.5-6) 1.11 4.43 -13.55 1 8 0 97 290.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3S)-3-methyl-1-(tetrazolo[1,5-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) 0.21 5.42 -55.71 0 8 -1 99 261.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3R)-3-methyl-1-(tetrazolo[1,5-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) 0.21 5.39 -40.39 0 8 -1 99 261.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3S)-3-ethyl-1-(tetrazolo[1,5-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) 0.55 5.91 -54.94 0 8 -1 99 275.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3R)-3-ethyl-1-(tetrazolo[1,5-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) 0.55 5.74 -50.34 0 8 -1 99 275.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3S)-3-propyl-1-(tetrazolo[1,5-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) 1.11 6.66 -55.5 0 8 -1 99 289.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-3-carboxylic (3R)-3-propyl-1-(tetrazolo[1,5-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) 1.11 6.5 -50.63 0 8 -1 99 289.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[1-(tetrazolo[1,5-a]pyrazin-5-yl)-4-piperidyl]ethanamine N-methyl-2-[1-(tetrazolo[1,5-a]p…

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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 4.72 -50.34 2 7 1 76 262.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2S)-1-(tetrazolo[1,5-a]pyrazin-5-yl)-2-piperidyl]ethanamine N-methyl-2-[(2S)-1-(tetrazolo[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) 0.90 3.99 -49.88 2 7 1 76 262.341 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-2-[(2R)-1-(tetrazolo[1,5-a]pyrazin-5-yl)-2-piperidyl]ethanamine N-methyl-2-[(2R)-1-(tetrazolo[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) 0.90 4.38 -40.39 2 7 1 76 262.341 4 ↓

Parameters Provided:

ring.id = 109351
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 = 109351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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