UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11813276
11813276
14996206
14996206
14996208
14996208

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Popular Name: 1-[(3R)-1-(2,2-dimethylpropyl)-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide 1-[(3R)-1-(2,2-dimethylpropyl)-3…

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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 -2.35 -44.84 3 7 1 84 324.449 7 ↓

Analogs

14996206
14996206
14996208
14996208
11813274
11813274

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Popular Name: 1-[(3S)-1-(2,2-dimethylpropyl)-3-piperidyl]-N-(3-hydroxypropyl)triazole-4-carboxamide 1-[(3S)-1-(2,2-dimethylpropyl)-3…

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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 -2.3 -44.93 3 7 1 84 324.449 7 ↓

Analogs

11978779
11978779

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Popular Name: 1-[(3R)-1-(2-ethylbutyl)-3-piperidyl]-N-(2-hydroxyethyl)triazole-4-carboxamide 1-[(3R)-1-(2-ethylbutyl)-3-piper…

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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) 1.20 -2.49 -47.21 3 7 1 84 324.449 8 ↓

Analogs

11978775
11978775

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Popular Name: 1-[(3S)-1-(2-ethylbutyl)-3-piperidyl]-N-(2-hydroxyethyl)triazole-4-carboxamide 1-[(3S)-1-(2-ethylbutyl)-3-piper…

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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) 1.20 -2.44 -46.65 3 7 1 84 324.449 8 ↓

Analogs

12035654
12035654

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Popular Name: N,N-diethyl-1-[(3R)-1-(3-methylbut-2-enyl)-3-piperidyl]triazole-4-carboxamide N,N-diethyl-1-[(3R)-1-(3-methylb…

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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) 2.38 2.65 -43.28 1 6 1 55 320.461 6 ↓

Analogs

12035651
12035651

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Popular Name: N,N-diethyl-1-[(3S)-1-(3-methylbut-2-enyl)-3-piperidyl]triazole-4-carboxamide N,N-diethyl-1-[(3S)-1-(3-methylb…

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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) 2.38 2.73 -43.27 1 6 1 55 320.461 6 ↓

Analogs

12036482
12036482
12149170
12149170
12149171
12149171

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Popular Name: N,N-diethyl-1-[(3R)-1-isobutyl-3-piperidyl]triazole-4-carboxamide N,N-diethyl-1-[(3R)-1-isobutyl-3…

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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) 1.82 2.69 -43.36 1 6 1 55 308.45 6 ↓

Analogs

12149170
12149170
12149171
12149171
12036480
12036480

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Popular Name: N,N-diethyl-1-[(3S)-1-isobutyl-3-piperidyl]triazole-4-carboxamide N,N-diethyl-1-[(3S)-1-isobutyl-3…

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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) 1.82 2.14 -44.64 1 6 1 55 308.45 6 ↓

Analogs

12217464
12217464

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Popular Name: N-isobutyl-1-[(3R)-1-propylsulfonyl-3-piperidyl]triazole-4-carboxamide N-isobutyl-1-[(3R)-1-propylsulfo…

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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 -4.71 -15.82 1 8 0 97 357.48 7 ↓

Analogs

12217463
12217463

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Popular Name: N-isobutyl-1-[(3S)-1-propylsulfonyl-3-piperidyl]triazole-4-carboxamide N-isobutyl-1-[(3S)-1-propylsulfo…

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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 -4.71 -15.84 1 8 0 97 357.48 7 ↓

Parameters Provided:

ring.id = 46402
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 = 46402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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