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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(pyrazin-2-ylmethyl)cyclopentanamine 1-methyl-N-(pyrazin-2-ylmethyl)c…

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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) 1.88 3.85 -36.39 2 3 1 42 192.286 3 ↓
Hi High (pH 8-9.5) 1.88 2.64 -4.05 1 3 0 38 191.278 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methoxy-N-(pyrazin-2-ylmethyl)cyclopentanamine (1S,2R)-2-methoxy-N-(pyrazin-2-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) 0.90 2.98 -36.13 2 4 1 52 208.285 4 ↓
Mid Mid (pH 6-8) 0.90 1.78 -5.54 1 4 0 47 207.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-(pyrazin-2-ylmethyl)cyclopentanamine (1S,2S)-2-methoxy-N-(pyrazin-2-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) 0.90 2.51 -40.22 2 4 1 52 208.285 4 ↓
Mid Mid (pH 6-8) 0.90 1.29 -5.14 1 4 0 47 207.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methoxy-N-(pyrazin-2-ylmethyl)cyclopentanamine (1R,2R)-2-methoxy-N-(pyrazin-2-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) 0.90 2.46 -39.24 2 4 1 52 208.285 4 ↓
Mid Mid (pH 6-8) 0.90 1.31 -4.92 1 4 0 47 207.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methoxy-N-(pyrazin-2-ylmethyl)cyclopentanamine (1R,2S)-2-methoxy-N-(pyrazin-2-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) 0.90 2.98 -36.8 2 4 1 52 208.285 4 ↓
Mid Mid (pH 6-8) 0.90 1.84 -5.51 1 4 0 47 207.277 4 ↓

Analogs

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Popular Name: [1-(pyrazin-2-ylmethylamino)cyclopentyl]methanol [1-(pyrazin-2-ylmethylamino)cycl…

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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) 0.87 0.61 -35.48 3 4 1 63 208.285 4 ↓
Hi High (pH 8-9.5) 0.87 -0.62 -7.28 2 4 0 58 207.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanecarbonitrile (1S,2R)-2-[(5-methylpyrazin-2-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) 1.30 3.29 -10.85 1 4 0 62 216.288 3 ↓
Lo Low (pH 4.5-6) 1.30 4.48 -45.36 2 4 1 66 217.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanecarbonitrile (1S,2S)-2-[(5-methylpyrazin-2-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) 1.30 3.1 -10.55 1 4 0 62 216.288 3 ↓
Lo Low (pH 4.5-6) 1.30 4.26 -50.59 2 4 1 66 217.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanecarbonitrile (1R,2R)-2-[(5-methylpyrazin-2-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) 1.30 3.1 -8.37 1 4 0 62 216.288 3 ↓
Lo Low (pH 4.5-6) 1.30 4.32 -50.53 2 4 1 66 217.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanecarbonitrile (1R,2S)-2-[(5-methylpyrazin-2-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) 1.30 3.48 -10.85 1 4 0 62 216.288 3 ↓
Lo Low (pH 4.5-6) 1.30 4.43 -45.38 2 4 1 66 217.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanol (1S,2R)-2-[(5-methylpyrazin-2-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) 0.50 1.21 -36.47 3 4 1 63 208.285 3 ↓
Hi High (pH 8-9.5) 0.50 0 -6.92 2 4 0 58 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanol (1S,2S)-2-[(5-methylpyrazin-2-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) 0.50 0.74 -39.67 3 4 1 63 208.285 3 ↓
Hi High (pH 8-9.5) 0.50 -0.44 -7.14 2 4 0 58 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanol (1R,2R)-2-[(5-methylpyrazin-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 0.74 -39.17 3 4 1 63 208.285 3 ↓
Hi High (pH 8-9.5) 0.50 -0.48 -6.2 2 4 0 58 207.277 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-methylpyrazin-2-yl)methylamino]cyclopentanol (1R,2S)-2-[(5-methylpyrazin-2-yl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 1.09 -36.24 3 4 1 63 208.285 3 ↓
Hi High (pH 8-9.5) 0.50 -0.05 -6.76 2 4 0 58 207.277 3 ↓

Parameters Provided:

ring.id = 153133
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 = 153133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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