UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35896731
35896731

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Popular Name: N-(1-benzyl-4-piperidyl)-3-(2-methylpropanoylamino)pyrazine-2-carboxamide N-(1-benzyl-4-piperidyl)-3-(2-me…

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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) 1.91 8.33 -49.03 3 7 1 88 382.488 6 ↓

Analogs

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Popular Name: N-(1-benzyl-4-piperidyl)-3-(3,3-dimethylbutanoylamino)pyrazine-2-carboxamide N-(1-benzyl-4-piperidyl)-3-(3,3-…

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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) 2.76 9.56 -47.49 3 7 1 88 410.542 7 ↓

Analogs

35896722
35896722

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Popular Name: N-(1-benzyl-4-piperidyl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide N-(1-benzyl-4-piperidyl)-3-(2,2-…

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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) 2.49 8.9 -49.14 3 7 1 88 396.515 6 ↓

Analogs

6504950
6504950
6683449
6683449

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Popular Name: 5-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidyl]pyrazine-2-carboxamide 5-methyl-N-[1-[[3-(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) 2.58 7.76 -48.65 2 5 1 59 379.406 5 ↓
Hi High (pH 8-9.5) 2.58 5.51 -9.54 1 5 0 58 378.398 5 ↓
Mid Mid (pH 6-8) 3.23 6.71 -16.78 2 7 0 93 366.402 5 ↓

Analogs

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Popular Name: 3-amino-N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]pyrazine-2-carboxamide 3-amino-N-[1-[(3,4-dichloropheny…

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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) 2.37 6.23 -50.02 4 6 1 85 381.287 4 ↓
Hi High (pH 8-9.5) 2.37 3.99 -8.51 3 6 0 84 380.279 4 ↓

Parameters Provided:

ring.id = 43511
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 = 43511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=43511&filter.purchasability=annotated

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