UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-cyano-1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide N-(4-cyano-1-methyl-4-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) 0.03 2.34 -49.71 3 6 1 86 234.283 2 ↓
Hi High (pH 8-9.5) 0.03 -0.05 -13.72 2 6 0 85 233.275 2 ↓

Analogs

2780290
2780290

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Popular Name: 4-bromo-1-ethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 4-bromo-1-ethyl-N-(2,2,6,6-tetra…

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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) 2.73 -1.79 -39.3 3 5 1 63 358.304 3 ↓

Analogs

2781504
2781504
2781207
2781207

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Popular Name: 4-chloro-1,5-dimethyl-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 4-chloro-1,5-dimethyl-N-(1-methy…

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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) 1.07 -0.56 -42.23 2 5 1 51 271.772 2 ↓

Analogs

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Popular Name: 1-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide 1-methyl-N-(2,2,6,6-tetramethylp…

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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) 2.75 0.68 -38.71 3 5 1 63 333.378 3 ↓

Analogs

994444
994444
994443
994443

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Popular Name: 1-methyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 1-methyl-N-(2,2,6,6-tetramethylp…

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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) 1.61 -1.1 -39.69 3 5 1 63 265.381 2 ↓

Analogs

16991016
16991016
2780863
2780863
2738479
2738479

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Popular Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide N-(1-isopropylpiperidin-1-ium-4-…

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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) 0.80 0.89 -45.1 2 8 1 97 296.351 4 ↓

Analogs

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Popular Name: 4-chloro-1-ethyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide 4-chloro-1-ethyl-N-(2,2,6,6-tetr…

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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) 2.60 -1.2 -39.67 3 5 1 63 313.853 3 ↓

Analogs

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Popular Name: N-(4-carbamothioyl-1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide N-(4-carbamothioyl-1-methyl-4-pi…

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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) -0.84 1.72 -48.9 5 6 1 88 268.366 3 ↓

Analogs

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Popular Name: N-methyl-N-(4-piperidyl)-1H-pyrazole-3-carboxamide N-methyl-N-(4-piperidyl)-1H-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) -0.18 2.43 -47.51 3 5 1 66 209.273 2 ↓

Analogs

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Popular Name: N-ethyl-N-(4-piperidyl)-1H-pyrazole-3-carboxamide N-ethyl-N-(4-piperidyl)-1H-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) 0.20 3.58 -40.63 3 5 1 66 223.3 3 ↓

Analogs

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Popular Name: N-(4-piperidyl)-N-propyl-1H-pyrazole-3-carboxamide N-(4-piperidyl)-N-propyl-1H-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) 0.70 4.32 -40.47 3 5 1 66 237.327 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-N-(4-piperidyl)-1H-pyrazole-3-carboxamide N-(2-amino-2-oxo-ethyl)-N-(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) -1.45 -0.18 -46.93 5 7 1 109 252.298 4 ↓

Analogs

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Popular Name: N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methyl-4-piperidyl]-1H-pyrazole-3-carboxamide N-[4-[(Z)-N'-hydroxycarbamimidoy…

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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) -0.74 -1.02 -47.94 6 8 1 121 267.313 3 ↓

Analogs

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Popular Name: 4-amino-N-methyl-N-(1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-methyl-N-(1-methyl-4-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) -0.17 2.68 -41.25 4 6 1 79 238.315 2 ↓

Analogs

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Popular Name: 4-amino-N-(1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(1-methyl-4-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) -0.42 0.65 -40.03 5 6 1 88 224.288 2 ↓

Analogs

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Popular Name: 4-amino-N-(1-ethyl-4-piperidyl)-N-methyl-1H-pyrazole-3-carboxamide 4-amino-N-(1-ethyl-4-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) 0.20 3.34 -39.91 4 6 1 79 252.342 3 ↓

Analogs

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Popular Name: 4-amino-N-(1-methylsulfonyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(1-methylsulfonyl-4-pi…

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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 -2.74 -15.67 4 8 0 121 287.345 3 ↓

Analogs

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Popular Name: 4-amino-N-(1-tert-butyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(1-tert-butyl-4-piperi…

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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) 0.77 2.05 -36 5 6 1 88 266.369 3 ↓

Analogs

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Popular Name: 4-amino-N-(1-isopropyl-4-piperidyl)-N-methyl-1H-pyrazole-3-carboxamide 4-amino-N-(1-isopropyl-4-piperid…

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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) 0.50 3.87 -38.22 4 6 1 79 266.369 3 ↓

Analogs

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Popular Name: 4-amino-N-(2-hydroxyethyl)-N-(1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(2-hydroxyethyl)-N-(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) -0.81 1.01 -37.37 5 7 1 100 268.341 4 ↓

Analogs

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Popular Name: 4-amino-N-(2-dimethylaminoethyl)-N-(1-methyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(2-dimethylaminoethyl)…

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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 5.22 -87.53 5 7 2 84 296.419 5 ↓

Analogs

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Popular Name: 4-amino-N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-1H-pyrazole-3-carboxamide 4-amino-N-[1-(2-amino-2-oxo-ethy…

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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) -1.69 -2.45 -43.69 7 8 1 131 267.313 4 ↓
Mid Mid (pH 6-8) -1.69 -4.65 -13.69 6 8 0 130 266.305 4 ↓

Analogs

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Popular Name: 4-amino-N-(1-ethyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(1-ethyl-4-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) -0.04 1.31 -38.61 5 6 1 88 238.315 3 ↓

Analogs

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Popular Name: 4-amino-N-methyl-N-(1-propyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-methyl-N-(1-propyl-4-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) 0.71 4.09 -40.54 4 6 1 79 266.369 4 ↓

Analogs

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Popular Name: 4-amino-N-(1-propyl-4-piperidyl)-1H-pyrazole-3-carboxamide 4-amino-N-(1-propyl-4-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) 0.46 2.06 -39.28 5 6 1 88 252.342 4 ↓

Analogs

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Popular Name: 4-bromo-N-(1-ethyl-4-piperidyl)-3-isopropyl-1H-pyrazole-5-carboxamide 4-bromo-N-(1-ethyl-4-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) 2.56 5.74 -38.82 3 5 1 62 344.277 4 ↓

Analogs

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Popular Name: N,5-dimethyl-N-(4-piperidyl)-1H-pyrazole-3-carboxamide N,5-dimethyl-N-(4-piperidyl)-1H-…

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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) 0.04 3.02 -46.99 3 5 1 66 223.3 2 ↓

Analogs

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Popular Name: 5-methyl-N-(4-piperidyl)-1H-pyrazole-3-carboxamide 5-methyl-N-(4-piperidyl)-1H-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) -0.20 0.95 -45.54 4 5 1 74 209.273 2 ↓

Parameters Provided:

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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 = 65524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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