UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,4-bis[(1-methylpyrazol-4-yl)sulfonyl]piperazine 1,4-bis[(1-methylpyrazol-4-yl)su…

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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) -1.20 -7.87 -21.12 0 10 0 110 374.448 4 ↓

Analogs

36614892
36614892
36615028
36615028
36615104
36615104

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Popular Name: 1-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonyl-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-p 1-[1-(difluoromethyl)-3,5-dimeth…

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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) 0.40 -5.97 -19.58 0 10 0 110 466.536 6 ↓

Analogs

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Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) -0.97 -7.68 -23.03 0 10 0 110 388.475 4 ↓

Analogs

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Popular Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine 1-(1,3-dimethylpyrazol-4-yl)sulf…

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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) -0.75 -7.53 -21.23 0 10 0 110 402.502 4 ↓

Analogs

36614770
36614770
36614783
36614783
36614892
36614892
36615028
36615028
36615052
36615052

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Popular Name: 1-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-pipera 1-[1-(difluoromethyl)-3,5-dimeth…

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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 -6.08 -20.7 0 10 0 110 452.509 5 ↓

Analogs

36614770
36614770
36614783
36614783
36614892
36614892
36615028
36615028
36615052
36615052

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(difluoromethyl)-3,5-dimethyl-pyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-[1-(difluoromethyl)-3,5-dimeth…

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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 -6.25 -20.55 0 10 0 110 438.482 5 ↓

Analogs

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Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) -0.60 -9.07 -21.53 1 10 0 121 402.502 4 ↓

Analogs

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Popular Name: 1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine 1-(1-ethyl-3-methyl-pyrazol-4-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) 0.00 -7.39 -20.61 0 10 0 110 430.556 6 ↓

Analogs

6527372
6527372

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Popular Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(1,3-dimethylpyrazol-4-yl)sulf…

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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) -0.97 -7.63 -21.31 0 10 0 110 388.475 4 ↓

Analogs

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Popular Name: 1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine 1,4-bis[(1,5-dimethylpyrazol-4-y…

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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) -0.75 -7.6 -22.38 0 10 0 110 402.502 4 ↓

Analogs

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Popular Name: 1-(1-ethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(1-ethylpyrazol-4-yl)sulfonyl-…

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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) -0.82 -7.81 -20.82 0 10 0 110 388.475 5 ↓

Analogs

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Popular Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine 1-[(3,5-dimethyl-1H-pyrazol-4-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) -0.22 -8.96 -19.69 1 10 0 121 416.529 5 ↓

Analogs

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Popular Name: 1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine 1-(1-ethyl-3-methyl-pyrazol-4-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) -0.22 -7.51 -20.58 0 10 0 110 416.529 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-bis[(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl]piperazine 1,4-bis[(1-ethyl-3-methyl-pyrazo…

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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) 0.00 -7.34 -19.92 0 10 0 110 430.556 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(1-ethyl-5-methyl-pyrazol-4-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) -0.60 -7.6 -22.77 0 10 0 110 402.502 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) -0.60 -7.62 -21.19 0 10 0 110 402.502 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) -0.38 -7.47 -20.92 0 10 0 110 416.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonyl-piperazine 1-(1-ethyl-3-methyl-pyrazol-4-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) -0.60 -7.57 -20.95 0 10 0 110 402.502 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine 1-(1,5-dimethylpyrazol-4-yl)sulf…

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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) -0.38 -7.53 -22.1 0 10 0 110 416.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine 1-(1,3-dimethylpyrazol-4-yl)sulf…

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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) -0.38 -7.4 -20.18 0 10 0 110 416.529 5 ↓

Parameters Provided:

ring.id = 242799
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 = 242799 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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