UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37864579
37864579

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Popular Name: [4-(5-amino-2-pyridyl)piperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone [4-(5-amino-2-pyridyl)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) 1.49 5.65 -34.45 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.49 5.35 -10.76 2 5 0 62 260.341 2 ↓

Analogs

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Popular Name: [4-(5-amino-2-pyridyl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone [4-(5-amino-2-pyridyl)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) 1.49 5.61 -35.47 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.49 5.32 -11.48 2 5 0 62 260.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-amino-2-pyridyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone [4-(5-amino-2-pyridyl)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) 1.49 5.63 -35.36 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.49 5.33 -11.45 2 5 0 62 260.341 2 ↓

Analogs

37864579
37864579

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(5-amino-2-pyridyl)piperazin-1-yl]-[(1R,2S)-2-methylcyclopropyl]methanone [4-(5-amino-2-pyridyl)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) 1.49 5.65 -34.34 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.49 5.36 -10.71 2 5 0 62 260.341 2 ↓

Analogs

37864580
37864580

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone [4-(3-amino-2-pyridyl)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) 1.27 5.98 -34.98 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.27 5.52 -9.05 2 5 0 62 260.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone [4-(3-amino-2-pyridyl)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) 1.27 5.94 -36.01 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.27 5.48 -9.68 2 5 0 62 260.341 2 ↓

Analogs

37864580
37864580

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone [4-(3-amino-2-pyridyl)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) 1.27 5.96 -35.97 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.27 5.49 -9.65 2 5 0 62 260.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-[(1R,2S)-2-methylcyclopropyl]methanone [4-(3-amino-2-pyridyl)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) 1.27 5.98 -34.97 3 5 1 64 261.349 2 ↓
Mid Mid (pH 6-8) 1.27 5.52 -8.96 2 5 0 62 260.341 2 ↓

Analogs

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Popular Name: 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid 2-({4-[3-chloro-5-(trifluorometh…

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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) 2.21 7.72 -65.88 0 6 -1 77 376.742 4 ↓
Lo Low (pH 4.5-6) 2.21 6.58 -16.6 1 6 0 74 377.75 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid 2-({4-[3-chloro-5-(trifluorometh…

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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) 2.21 6.96 -51.88 0 6 -1 77 376.742 4 ↓
Lo Low (pH 4.5-6) 2.21 5.83 -12.73 1 6 0 74 377.75 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid 2-({4-[3-chloro-5-(trifluorometh…

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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) 2.21 6.78 -51.13 0 6 -1 77 376.742 4 ↓
Lo Low (pH 4.5-6) 2.21 5.65 -12.28 1 6 0 74 377.75 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-({4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}carbonyl)cyclopropanecarboxylic acid 2-({4-[3-chloro-5-(trifluorometh…

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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) 2.21 7.73 -65.81 0 6 -1 77 376.742 4 ↓
Lo Low (pH 4.5-6) 2.21 6.61 -16.85 1 6 0 74 377.75 4 ↓

Analogs

34926341
34926341
34926340
34926340
34926339
34926339
34926338
34926338
36390541
36390541

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Popular Name: (1R,2S)-2-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2S)-2-[4-(5-bromo-2-pyridyl)…

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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) 1.68 7.9 -54.81 0 6 -1 77 353.196 3 ↓
Lo Low (pH 4.5-6) 1.68 5.96 -17.9 1 6 0 74 354.204 3 ↓

Analogs

34926341
34926341
34926340
34926340
34926339
34926339
34926338
34926338
36390541
36390541

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1R,2R)-2-[4-(5-bromo-2-pyridyl)…

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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) 1.68 7.99 -48.48 0 6 -1 77 353.196 3 ↓
Lo Low (pH 4.5-6) 1.68 6 -11.5 1 6 0 74 354.204 3 ↓

Analogs

34926341
34926341
34926340
34926340
34926339
34926339
34926338
34926338
36390541
36390541

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2S)-2-[4-(5-bromo-2-pyridyl)…

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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) 1.68 7.99 -48.79 0 6 -1 77 353.196 3 ↓
Lo Low (pH 4.5-6) 1.68 5.99 -11.87 1 6 0 74 354.204 3 ↓

Analogs

34926341
34926341
34926340
34926340
34926339
34926339
34926338
34926338
36390541
36390541

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[4-(5-bromo-2-pyridyl)…

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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) 1.68 7.85 -53.23 0 6 -1 77 353.196 3 ↓
Lo Low (pH 4.5-6) 1.68 6.12 -17.41 1 6 0 74 354.204 3 ↓

Parameters Provided:

ring.id = 15922
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 = 15922 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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