UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N,N-diethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-1-sulfonamide N,N-diethyl-4-(5-methylpyrazine-…

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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) 0.15 2.83 -13.23 0 8 0 87 341.437 5 ↓

Analogs

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Popular Name: (3-methylpiperazin-1-yl)(pyrazin-2-yl)methanone hydrochloride (3-methylpiperazin-1-yl)(pyrazin…

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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) -0.12 1.91 -45.38 2 5 1 63 207.257 1 ↓
Mid Mid (pH 6-8) -0.12 0.65 -9.06 1 5 0 58 206.249 1 ↓

Analogs

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Popular Name: (3-methylpiperazin-1-yl)(pyrazin-2-yl)methanone hydrochloride (3-methylpiperazin-1-yl)(pyrazin…

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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) -0.12 1.94 -45.48 2 5 1 63 207.257 1 ↓
Mid Mid (pH 6-8) -0.12 0.69 -9.12 1 5 0 58 206.249 1 ↓

Analogs

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Popular Name: [(2R,5R)-2,5-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2R,5R)-2,5-dimethylpiperazin-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) 0.22 2.72 -44.86 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) 0.22 1.43 -9.15 1 5 0 58 220.276 1 ↓

Analogs

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Popular Name: [(2S,5R)-2,5-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2S,5R)-2,5-dimethylpiperazin-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) 0.22 2.41 -45.07 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) 0.22 1.18 -8.28 1 5 0 58 220.276 1 ↓

Analogs

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Popular Name: [(2R,5S)-2,5-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2R,5S)-2,5-dimethylpiperazin-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) 0.22 2.53 -44.85 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) 0.22 1.28 -8.07 1 5 0 58 220.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-2,5-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2S,5S)-2,5-dimethylpiperazin-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) 0.22 2.68 -44.79 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) 0.22 1.53 -9.13 1 5 0 58 220.276 1 ↓

Analogs

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Popular Name: (2,2-dimethylpiperazin-1-yl)-pyrazin-2-yl-methanone (2,2-dimethylpiperazin-1-yl)-pyr…

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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) 0.01 2.45 -48.1 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) 0.01 1.1 -8.48 1 5 0 58 220.276 1 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2S,6R)-2,6-dimethylpiperazin-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) -0.14 2.07 -49.29 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) -0.14 0.76 -8.51 1 5 0 58 220.276 1 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2S,6S)-2,6-dimethylpiperazin-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) -0.14 2.49 -47.92 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) -0.14 1.16 -8.38 1 5 0 58 220.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-pyrazin-2-yl-methanone [(2R,6R)-2,6-dimethylpiperazin-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) -0.14 2.63 -47.38 2 5 1 63 221.284 1 ↓
Mid Mid (pH 6-8) -0.14 1.25 -8.22 1 5 0 58 220.276 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [(2S,6R)-2,6-dimethylpiperazin-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) 0.09 1.09 -54.99 2 5 1 63 235.311 1 ↓
Mid Mid (pH 6-8) 0.09 0.41 -8.14 1 5 0 58 234.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [(2S,6S)-2,6-dimethylpiperazin-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) 0.09 3.19 -47.2 2 5 1 63 235.311 1 ↓
Mid Mid (pH 6-8) 0.09 1.99 -8.02 1 5 0 58 234.303 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,6R)-2,6-dimethylpiperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [(2R,6R)-2,6-dimethylpiperazin-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) 0.09 3.23 -47.38 2 5 1 63 235.311 1 ↓
Mid Mid (pH 6-8) 0.09 2.03 -7.8 1 5 0 58 234.303 1 ↓

Analogs

23379336
23379336

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Popular Name: Piperazine, 1-ethyl-4-(pyrazinylcarbonyl)- (9CI) Piperazine, 1-ethyl-4-(pyrazinyl…

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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 1.9 -8.74 0 5 0 49 220.276 2 ↓

Analogs

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Popular Name: (3-aminopyrazin-2-yl)-[4-(3,3-dimethylbutyl)piperazin-1-yl]methanone (3-aminopyrazin-2-yl)-[4-(3,3-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) 1.38 2.43 -8.79 2 6 0 75 291.399 4 ↓
Mid Mid (pH 6-8) 1.38 4.62 -45.94 3 6 1 77 292.407 4 ↓

Analogs

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Popular Name: [4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2S)-2-hydroxybutyl]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) 0.26 0.78 -9.92 1 6 0 70 278.356 4 ↓
Lo Low (pH 4.5-6) 0.26 3.07 -43.82 2 6 1 71 279.364 4 ↓

Analogs

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Popular Name: [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2R)-2-hydroxybutyl]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) 0.26 0.88 -9.91 1 6 0 70 278.356 4 ↓
Lo Low (pH 4.5-6) 0.26 3.15 -43.9 2 6 1 71 279.364 4 ↓

Analogs

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Popular Name: [4-[(2R)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2R)-3-ethoxy-2-hydroxy-prop…

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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) -0.26 0.21 -12.09 1 7 0 79 308.382 6 ↓
Lo Low (pH 4.5-6) -0.26 2.51 -46.63 2 7 1 80 309.39 6 ↓

Analogs

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Popular Name: [4-[(2S)-3-ethoxy-2-hydroxy-propyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2S)-3-ethoxy-2-hydroxy-prop…

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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) -0.26 0.31 -11.34 1 7 0 79 308.382 6 ↓
Lo Low (pH 4.5-6) -0.26 2.57 -45.66 2 7 1 80 309.39 6 ↓

Analogs

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Popular Name: [4-[(2R)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2R)-2-hydroxy-3,3-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) 1.08 1.99 -9.17 1 6 0 70 306.41 4 ↓
Lo Low (pH 4.5-6) 1.08 4.21 -43.44 2 6 1 71 307.418 4 ↓

Analogs

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Popular Name: [4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone [4-[(2S)-2-hydroxy-3,3-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) 1.08 1.99 -9.52 1 6 0 70 306.41 4 ↓
Lo Low (pH 4.5-6) 1.08 4.28 -44.08 2 6 1 71 307.418 4 ↓

Analogs

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Popular Name: 2-methoxy-1-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]ethanone 2-methoxy-1-[4-(5-methylpyrazine…

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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) -0.67 3.29 -17.53 0 7 0 76 278.312 3 ↓

Analogs

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Popular Name: (3-aminopyrazin-2-yl)-(4-isopentylpiperazin-1-yl)methanone (3-aminopyrazin-2-yl)-(4-isopent…

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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) 1.06 4.25 -45.46 3 6 1 77 278.38 4 ↓
Mid Mid (pH 6-8) 1.06 2.03 -8.78 2 6 0 75 277.372 4 ↓

Analogs

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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) -0.74 0.39 -12.29 2 8 0 102 265.273 2 ↓

Analogs

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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) -0.13 2.96 -12.11 0 7 0 76 264.285 2 ↓

Analogs

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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) -0.35 2.37 -11.59 0 7 0 76 250.258 2 ↓

Parameters Provided:

ring.id = 27775
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 = 27775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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