UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36165348
36165348
37791664
37791664
37842378
37842378
37991913
37991913

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-1H-pyrazole-4-carboxamide N-[3-[(2R)-2-methyl-1-piperidyl]…

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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) 0.98 4.48 -41.73 3 5 1 62 251.354 5 ↓

Analogs

37791664
37791664
37842378
37842378
37991913
37991913
36165346
36165346

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-1H-pyrazole-4-carboxamide N-[3-[(2S)-2-methyl-1-piperidyl]…

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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) 0.98 4.48 -41.73 3 5 1 62 251.354 5 ↓

Analogs

36165352
36165352
37791667
37791667
37841596
37841596

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Popular Name: 3,5-dimethyl-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[3-[(2S)-2-methyl…

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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) 1.42 5.56 -42.69 3 5 1 62 279.408 5 ↓

Analogs

37791667
37791667
37841596
37841596
36165350
36165350

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[3-[(2R)-2-methyl…

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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) 1.42 5.56 -42.58 3 5 1 62 279.408 5 ↓

Analogs

37791664
37791664
37841595
37841595
37842378
37842378
37991912
37991912
37991913
37991913

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Popular Name: N-[3-(1-piperidyl)propyl]-1H-pyrazole-4-carboxamide N-[3-(1-piperidyl)propyl]-1H-pyr…

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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) 0.65 4 -43.29 3 5 1 62 237.327 5 ↓

Analogs

37791667
37791667
37841556
37841556
37841596
37841596

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[3-(1-piperidyl)propyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[3-(1-piperidyl)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) 1.09 5.07 -44.26 3 5 1 62 265.381 5 ↓

Analogs

53154515
53154515
53154516
53154516

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Popular Name: 1-tert-butyl-N-[3-[(3S,5S)-3,5-dimethyl-1-piperidyl]propyl]pyrazole-4-carboxamide 1-tert-butyl-N-[3-[(3S,5S)-3,5-d…

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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) 2.62 8.51 -42.87 2 5 1 51 321.489 6 ↓

Analogs

53154515
53154515
53154516
53154516

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-N-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]propyl]pyrazole-4-carboxamide 1-tert-butyl-N-[3-[(3R,5R)-3,5-d…

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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) 2.62 8.51 -42.88 2 5 1 51 321.489 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methyl-1-piperidyl)propyl]-1H-pyrazole-4-carboxamide N-[3-(4-methyl-1-piperidyl)propy…

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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) 0.89 4.62 -44.24 3 5 1 62 251.354 5 ↓

Analogs

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Popular Name: 5-methyl-N-[3-(1-piperidyl)propyl]-1H-pyrazole-4-carboxamide 5-methyl-N-[3-(1-piperidyl)propy…

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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) 0.87 4.57 -42.5 3 5 1 62 251.354 5 ↓

Parameters Provided:

ring.id = 81961
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 = 81961 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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