UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(4-aminopyrazol-1-yl)acetamide N-[1-(2-amino-2-oxo-ethyl)-4-pip…

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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) -1.94 -0.99 -49.86 6 8 1 120 281.34 5 ↓
Hi High (pH 8-9.5) -1.94 -3.19 -18.79 5 8 0 119 280.332 5 ↓

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-(1-ethyl-4-piperidyl)acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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) 0.14 3.86 -45.83 4 6 1 77 280.396 4 ↓

Analogs

40306410
40306410

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-(1-ethyl-4-piperidyl)acetamide 2-(4-aminopyrazol-1-yl)-N-(1-eth…

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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) -0.30 2.77 -45.87 4 6 1 77 252.342 4 ↓

Analogs

40320306
40320306

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-methyl-N-(1-propyl-4-piperidyl)acetamide 2-(4-aminopyrazol-1-yl)-N-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) 0.45 5.26 -47.13 3 6 1 69 280.396 5 ↓

Analogs

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Popular Name: N-(1-acetyl-4-piperidyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide N-(1-acetyl-4-piperidyl)-2-(3,5-…

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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) -0.28 4.28 -20.82 1 6 0 67 278.356 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-piperidyl)acetamide 2-(3,5-dimethylpyrazol-1-yl)-N-m…

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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) 0.01 4.78 -53.12 2 5 1 55 251.354 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(4-piperidyl)acetamide 2-(3,5-dimethylpyrazol-1-yl)-N-(…

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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) -0.24 3.05 -52.83 3 5 1 64 237.327 3 ↓

Analogs

2781924
2781924
2781925
2781925
2778172
2778172
2778173
2778173

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Popular Name: 2-(4-bromo-3-methyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide 2-(4-bromo-3-methyl-pyrazol-1-yl…

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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) 2.25 -1.81 -45.86 3 5 1 63 358.304 3 ↓

Analogs

2781990
2781990
2807275
2807275
6787497
6787497
6787542
6787542
32611140
32611140

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Popular Name: 2-[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide 2-[3-(difluoromethyl)-5-methyl-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) 2.29 0.26 -47.9 3 5 1 63 329.415 4 ↓

Analogs

28229318
28229318
28229322
28229322
2780484
2780484
2780483
2780483

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Popular Name: (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-1-ium-4-yl)propionam (2S)-2-[4-chloro-5-methyl-3-(tri…

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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) 2.24 1.74 -50.56 2 5 1 51 353.796 4 ↓

Analogs

28229318
28229318
28229322
28229322
2780484
2780484
2780483
2780483

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Popular Name: (2R)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-1-ium-4-yl)propionam (2R)-2-[4-chloro-5-methyl-3-(tri…

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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) 2.24 1.74 -51.23 2 5 1 51 353.796 4 ↓

Analogs

2780224
2780224
2780670
2780670

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Popular Name: 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ace 2-[4-chloro-5-methyl-3-(trifluor…

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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) 3.25 0.67 -47.92 3 5 1 63 381.85 4 ↓

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) 1.50 4.96 -21.16 1 7 0 76 348.325 6 ↓

Analogs

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Popular Name: (2S)-N-(4-piperidyl)-2-pyrazol-1-yl-propanamide (2S)-N-(4-piperidyl)-2-pyrazol-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) -0.32 2.51 -51.91 3 5 1 64 223.3 3 ↓

Analogs

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Popular Name: (2R)-N-(4-piperidyl)-2-pyrazol-1-yl-propanamide (2R)-N-(4-piperidyl)-2-pyrazol-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) -0.32 2.52 -51.26 3 5 1 64 223.3 3 ↓

Analogs

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Popular Name: 2-(4-amino-3,5-dimethyl-pyrazol-1-yl)-N-(1-propyl-4-piperidyl)acetamide 2-(4-amino-3,5-dimethyl-pyrazol-…

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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 4.61 -46.57 4 6 1 77 294.423 5 ↓

Analogs

40306410
40306410

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Popular Name: 2-(4-aminopyrazol-1-yl)-N-(1-propyl-4-piperidyl)acetamide 2-(4-aminopyrazol-1-yl)-N-(1-pro…

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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) 0.20 3.52 -46.68 4 6 1 77 266.369 5 ↓

Parameters Provided:

ring.id = 17726
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 = 17726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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