UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[4-[(1R)-1-methylpropyl]piperazin-1-yl]sulfonyl-1H-pyridin-2-one 5-[4-[(1R)-1-methylpropyl]pipera…

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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) 0.94 1.11 -12.81 1 6 0 73 299.396 4 ↓
Hi High (pH 8-9.5) 1.40 -0.95 -45.37 0 6 -1 77 298.388 4 ↓
Mid Mid (pH 6-8) 0.94 2.96 -50.37 2 6 1 75 300.404 4 ↓

Analogs

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Popular Name: 5-[4-[(1S)-1-methylpropyl]piperazin-1-yl]sulfonyl-1H-pyridin-2-one 5-[4-[(1S)-1-methylpropyl]pipera…

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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) 0.94 1.07 -12.64 1 6 0 73 299.396 4 ↓
Hi High (pH 8-9.5) 1.40 -0.97 -45.59 0 6 -1 77 298.388 4 ↓
Mid Mid (pH 6-8) 0.94 2.94 -50.83 2 6 1 75 300.404 4 ↓

Analogs

27364836
27364836
40505501
40505501

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Popular Name: N-ethyl-4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxamide N-ethyl-4-[(6-oxo-1H-pyridin-3-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) 0.32 0 -19.89 2 8 0 103 314.367 3 ↓
Hi High (pH 8-9.5) 0.77 -2.06 -51.51 1 8 -1 106 313.359 3 ↓

Analogs

36828903
36828903
36828947
36828947
20389050
20389050

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Popular Name: N-methyl-2-[4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazin-1-yl]acetamide N-methyl-2-[4-[(6-oxo-1H-pyridin…

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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) -0.66 -2.61 -19.39 2 8 0 103 314.367 4 ↓
Hi High (pH 8-9.5) -0.20 -4.65 -50.17 1 8 -1 106 313.359 4 ↓
Mid Mid (pH 6-8) -0.66 -0.44 -57.65 3 8 1 104 315.375 4 ↓

Analogs

36828707
36828707
36828903
36828903

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Popular Name: 5-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one 5-[4-(2-methylpropanoyl)piperazi…

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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 1.51 -19.13 1 7 0 91 313.379 3 ↓
Hi High (pH 8-9.5) 0.64 -0.56 -50.5 0 7 -1 94 312.371 3 ↓

Analogs

36829111
36829111
36828903
36828903

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Popular Name: 5-[4-(2-methoxyacetyl)piperazin-1-yl]sulfonyl-1H-pyridin-2-one 5-[4-(2-methoxyacetyl)piperazin-…

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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) -0.96 0.42 -22.66 1 8 0 100 315.351 4 ↓
Hi High (pH 8-9.5) -0.50 -1.64 -53.91 0 8 -1 103 314.343 4 ↓

Analogs

40505501
40505501
27364836
27364836

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Popular Name: N,N-dimethyl-4-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperazine-1-carboxamide N,N-dimethyl-4-[(6-oxo-1H-pyridi…

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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) -0.76 0.6 -20.26 1 8 0 94 314.367 2 ↓
Hi High (pH 8-9.5) -0.30 -1.47 -52.72 0 8 -1 97 313.359 2 ↓

Analogs

36828903
36828903
36829111
36829111
36828947
36828947
20389050
20389050

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Popular Name: 5-(4-isobutylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one 5-(4-isobutylpiperazin-1-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) 0.86 1.33 -12.71 1 6 0 73 299.396 4 ↓
Hi High (pH 8-9.5) 1.32 -0.7 -45.59 0 6 -1 77 298.388 4 ↓
Mid Mid (pH 6-8) 0.86 3.29 -53.01 2 6 1 75 300.404 4 ↓

Analogs

36828903
36828903
36829111
36829111
36828707
36828707
36829219
36829219
36828947
36828947

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Popular Name: 5-(4-prop-2-ynylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one 5-(4-prop-2-ynylpiperazin-1-yl)s…

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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) -0.10 0.12 -14.64 1 6 0 73 281.337 3 ↓
Hi High (pH 8-9.5) 0.35 -1.92 -46.53 0 6 -1 77 280.329 3 ↓
Lo Low (pH 4.5-6) -0.10 2.39 -54.24 2 6 1 75 282.345 3 ↓

Analogs

36828947
36828947
20389050
20389050

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Popular Name: 5-(4-isopentylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one 5-(4-isopentylpiperazin-1-yl)sul…

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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) 1.39 1.65 -12.8 1 6 0 73 313.423 5 ↓
Hi High (pH 8-9.5) 1.85 -0.4 -45.63 0 6 -1 77 312.415 5 ↓
Mid Mid (pH 6-8) 1.39 3.89 -54.67 2 6 1 75 314.431 5 ↓

Analogs

36829111
36829111

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Popular Name: methyl 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) -0.40 -0.13 -17.04 1 8 0 100 315.351 5 ↓
Hi High (pH 8-9.5) 0.06 -2.19 -50.25 0 8 -1 103 314.343 5 ↓
Lo Low (pH 4.5-6) -0.40 1.99 -56.79 2 8 1 101 316.359 5 ↓

Parameters Provided:

ring.id = 24459
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 = 24459 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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