UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-chloro-1-isobutyl-N,3-dimethyl-N-[2-oxo-2-(p-tolylamino)ethyl]pyrazole-4-carboxamide 5-chloro-1-isobutyl-N,3-dimethyl…

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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) 3.05 8.62 -15.86 1 6 0 67 376.888 6 ↓

Analogs

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Popular Name: N,5-diethyl-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-1H-pyrazole-4-carboxamide N,5-diethyl-N-[2-(3-methoxyanili…

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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) 1.59 4.82 -18.06 2 7 0 87 330.388 7 ↓

Analogs

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Popular Name: N-ethyl-N-[2-(3-methoxyanilino)-2-oxo-ethyl]-5-methyl-1H-pyrazole-4-carboxamide N-ethyl-N-[2-(3-methoxyanilino)-…

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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 4.08 -17.89 2 7 0 87 316.361 6 ↓

Analogs

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Popular Name: N-ethyl-N-[2-(4-methoxyanilino)-2-oxo-ethyl]-5-methyl-1H-pyrazole-4-carboxamide N-ethyl-N-[2-(4-methoxyanilino)-…

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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 4.07 -15.83 2 7 0 87 316.361 6 ↓

Analogs

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Popular Name: N-[2-(4-fluoroanilino)-2-oxo-ethyl]-N-isopropyl-1,5-dimethyl-pyrazole-4-carboxamide N-[2-(4-fluoroanilino)-2-oxo-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) 1.51 6.35 -16.73 1 6 0 67 332.379 5 ↓

Analogs

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Popular Name: N-[2-(4-bromoanilino)-2-oxo-ethyl]-1-methyl-pyrazole-4-carboxamide N-[2-(4-bromoanilino)-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) 1.49 3.39 -12.52 2 6 0 76 337.177 4 ↓

Analogs

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Popular Name: N-(2-anilino-2-oxo-ethyl)-1,5-dimethyl-pyrazole-4-carboxamide N-(2-anilino-2-oxo-ethyl)-1,5-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) 0.90 3.27 -12.43 2 6 0 76 272.308 4 ↓

Analogs

37841415
37841415

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Popular Name: N-(2-anilino-2-oxo-ethyl)-1-methyl-pyrazole-4-carboxamide N-(2-anilino-2-oxo-ethyl)-1-meth…

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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) 0.68 2.76 -12.61 2 6 0 76 258.281 4 ↓

Analogs

47548526
47548526
49317390
49317390
36394926
36394926
36166472
36166472
36165395
36165395

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Popular Name: N-(2-anilino-2-oxo-ethyl)-N-methyl-1H-pyrazole-4-carboxamide N-(2-anilino-2-oxo-ethyl)-N-meth…

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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) 0.39 3.38 -17.76 2 6 0 78 258.281 4 ↓

Analogs

46627827
46627827
36163882
36163882
36164511
36164511
36200498
36200498
36163907
36163907

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Popular Name: N-(2-anilino-2-oxo-ethyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-(2-anilino-2-oxo-ethyl)-N,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) 0.83 4.81 -17.03 2 6 0 78 286.335 4 ↓

Parameters Provided:

ring.id = 187750
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 = 187750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=187750&filter.purchasability=annotated

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