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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20318359
20318359

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(4-tert-butylcyclohexyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-tert-butylcyclohexyl)carba…

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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) 2.32 5.37 -56.32 1 6 -1 87 306.386 4 ↓

Analogs

49221659
49221659

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Popular Name: 1-(1H-pyrazole-3-carbonylamino)cyclohexanecarboxylic 1-(1H-pyrazole-3-carbonylamino)c…

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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) -1.01 4.4 -55.73 2 6 -1 98 236.251 3 ↓

Analogs

2780468
2780468

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Popular Name: N-(4-tert-butylcyclohexyl)-4-chloro-2-methyl-pyrazole-3-carboxamide N-(4-tert-butylcyclohexyl)-4-chl…

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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) 3.43 0.24 -7.6 1 4 0 46 297.83 3 ↓

Analogs

20606058
20606058
20606067
20606067
20606071
20606071
20606080
20606080
20606081
20606081

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Popular Name: N-(4-tert-butylcyclohexyl)-2,5-dimethyl-pyrazole-3-carboxamide N-(4-tert-butylcyclohexyl)-2,5-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) 3.04 0.62 -8 1 4 0 46 277.412 3 ↓

Analogs

2776920
2776920
2776921
2776921

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Popular Name: N-(4-tert-amylcyclohexyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide N-(4-tert-amylcyclohexyl)-2,5-di…

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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) 3.27 1.22 -10.86 1 7 0 92 336.436 5 ↓

Analogs

2781917
2781917

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Popular Name: 4-chloro-2,5-dimethyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 4-chloro-2,5-dimethyl-N-(4-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) 2.32 -0.57 -8.21 1 4 0 46 269.776 2 ↓

Analogs

2776892
2776892
2777589
2777589

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-amylcyclohexyl)-4-chloro-2,5-dimethyl-pyrazole-3-carboxamide N-(4-tert-amylcyclohexyl)-4-chlo…

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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) 3.98 0.51 -7.99 1 4 0 46 325.884 4 ↓

Analogs

2781942
2781942
2781943
2781943
2781944
2781944
13959398
13959398
13959399
13959399

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Popular Name: 4-bromo-2-methyl-N-[(1R,2S)-2-methylcyclohexyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-2-methyl-N-[(1R,2S)-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) 3.84 1.56 -7.53 1 4 0 46 368.197 3 ↓

Analogs

2781943
2781943
2781944
2781944
13959398
13959398
13959399
13959399
2776644
2776644

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Popular Name: 4-bromo-2-methyl-N-[(1R,2R)-2-methylcyclohexyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-2-methyl-N-[(1R,2R)-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) 3.84 1.01 -7.72 1 4 0 46 368.197 3 ↓

Analogs

2781944
2781944
13959398
13959398
13959399
13959399
2776644
2776644
2776648
2776648

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Popular Name: 4-bromo-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-2-methyl-N-[(1S,2S)-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) 3.84 1.02 -7.71 1 4 0 46 368.197 3 ↓

Analogs

13959398
13959398
13959399
13959399
2776644
2776644
2776648
2776648
2781941
2781941

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-(trifluoromethyl)pyrazole-3-carboxamide 4-bromo-2-methyl-N-[(1S,2R)-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) 3.84 1.56 -7.64 1 4 0 46 368.197 3 ↓

Analogs

4101590
4101590
6490042
6490042
6490043
6490043
6490044
6490044
6490045
6490045

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(4-tert-butylcyclohexyl)-2-ethyl-pyrazole-3-carboxamide 4-bromo-N-(4-tert-butylcyclohexy…

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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) 3.94 -0.3 -7.43 1 4 0 46 356.308 4 ↓

Analogs

2782572
2782572
2781075
2781075

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-methyl-N-(4-methylcyclohexyl)pyrazole-3-carboxamide 4-bromo-2-methyl-N-(4-methylcycl…

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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) 2.23 -0.74 -7.59 1 4 0 46 300.2 2 ↓

Analogs

4652449
4652449
6490087
6490087
371514
371514
800684
800684

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylcyclohexyl)-2-ethyl-4-nitro-pyrazole-3-carboxamide N-(4-tert-butylcyclohexyl)-2-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) 3.09 0.91 -10.74 1 7 0 92 322.409 5 ↓

Analogs

2781075
2781075
2782255
2782255

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Popular Name: N-(4-tert-amylcyclohexyl)-4-bromo-2-methyl-pyrazole-3-carboxamide N-(4-tert-amylcyclohexyl)-4-brom…

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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) 3.89 0.34 -7.45 1 4 0 46 356.308 4 ↓

Analogs

31780191
31780191

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Popular Name: N-cyclohexyl-2-ethyl-5-methyl-pyrazole-3-carboxamide N-cyclohexyl-2-ethyl-5-methyl-py…

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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) 2.32 5.49 -7.85 1 4 0 47 235.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-cyclohexyl-2-ethyl-5-methyl-pyrazole-3-carboxamide 4-chloro-N-cyclohexyl-2-ethyl-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) 2.93 5.92 -8.12 1 4 0 47 269.776 3 ↓

Parameters Provided:

ring.id = 74278
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 = 74278 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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