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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: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-pyrazin-2-one 3-[[(1S)-2-cyclopropyl-1-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) 1.20 5.59 -8.27 1 4 0 47 207.277 4 ↓
Mid Mid (pH 6-8) 1.20 5.92 -32.36 2 4 1 48 208.285 4 ↓

Analogs

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Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-methyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-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) 1.20 5.59 -8.26 1 4 0 47 207.277 4 ↓
Mid Mid (pH 6-8) 1.20 5.92 -32.36 2 4 1 48 208.285 4 ↓

Analogs

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Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1S)-2-cyclopropyl-1-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) 1.57 6.53 -8.14 1 4 0 47 221.304 5 ↓
Mid Mid (pH 6-8) 1.57 6.86 -32.22 2 4 1 48 222.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-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) 1.57 6.53 -8.15 1 4 0 47 221.304 5 ↓
Mid Mid (pH 6-8) 1.57 6.86 -32.18 2 4 1 48 222.312 5 ↓

Analogs

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Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-pyrazin-2-one 3-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 1.73 6.38 -7.84 1 4 0 47 221.304 5 ↓
Mid Mid (pH 6-8) 1.73 6.63 -31.78 2 4 1 48 222.312 5 ↓

Analogs

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Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-methyl-pyrazin-2-one 3-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 1.73 6.46 -7.94 1 4 0 47 221.304 5 ↓
Mid Mid (pH 6-8) 1.73 6.71 -31.64 2 4 1 48 222.312 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1S)-2-cyclopropyl-1-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) 2.32 7.81 -7.44 1 4 0 47 249.358 6 ↓
Mid Mid (pH 6-8) 2.32 8.07 -32.31 2 4 1 48 250.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-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) 2.32 7.81 -7.42 1 4 0 47 249.358 6 ↓
Mid Mid (pH 6-8) 2.32 8.07 -32.32 2 4 1 48 250.366 6 ↓

Analogs

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Popular Name: 1-tert-butyl-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1S)-2-cyclopro…

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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) 2.38 7.41 -7.12 1 4 0 47 249.358 5 ↓
Mid Mid (pH 6-8) 2.38 7.74 -30.74 2 4 1 48 250.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1R)-2-cyclopro…

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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) 2.38 7.49 -7.26 1 4 0 47 249.358 5 ↓
Mid Mid (pH 6-8) 2.38 7.82 -30.65 2 4 1 48 250.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1S)-2-cyclopropyl-1-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) 1.94 6.95 -7.74 1 4 0 47 235.331 5 ↓
Mid Mid (pH 6-8) 1.94 7.28 -31.55 2 4 1 48 236.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-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) 1.94 6.95 -7.75 1 4 0 47 235.331 5 ↓
Mid Mid (pH 6-8) 1.94 7.28 -31.53 2 4 1 48 236.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1-propyl-pyrazin-2-one 3-[[(1S)-2-cyclopropyl-1-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) 2.08 7.28 -7.89 1 4 0 47 235.331 6 ↓
Mid Mid (pH 6-8) 2.08 7.61 -32.33 2 4 1 48 236.339 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]-1-propyl-pyrazin-2-one 3-[[(1R)-2-cyclopropyl-1-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) 2.08 7.28 -7.94 1 4 0 47 235.331 6 ↓
Mid Mid (pH 6-8) 2.08 7.61 -32.42 2 4 1 48 236.339 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.86 8.54 -7.41 1 4 0 47 263.385 7 ↓
Mid Mid (pH 6-8) 2.86 8.79 -31.8 2 4 1 48 264.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.86 8.61 -7.58 1 4 0 47 263.385 7 ↓
Mid Mid (pH 6-8) 2.86 8.86 -31.6 2 4 1 48 264.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1S)-1-(cyclopr…

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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) 2.92 8.21 -6.73 1 4 0 47 263.385 6 ↓
Mid Mid (pH 6-8) 2.92 8.46 -30.25 2 4 1 48 264.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1R)-1-(cyclopr…

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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) 2.92 8.28 -6.86 1 4 0 47 263.385 6 ↓
Mid Mid (pH 6-8) 2.92 8.53 -30.1 2 4 1 48 264.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.11 7.32 -7.73 1 4 0 47 235.331 6 ↓
Mid Mid (pH 6-8) 2.11 7.57 -31.64 2 4 1 48 236.339 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.11 7.4 -7.87 1 4 0 47 235.331 6 ↓
Mid Mid (pH 6-8) 2.11 7.65 -31.5 2 4 1 48 236.339 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.47 7.75 -7.4 1 4 0 47 249.358 6 ↓
Mid Mid (pH 6-8) 2.47 8 -30.93 2 4 1 48 250.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.47 7.82 -7.56 1 4 0 47 249.358 6 ↓
Mid Mid (pH 6-8) 2.47 8.07 -30.77 2 4 1 48 250.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1-propyl-pyrazin-2-one 3-[[(1S)-1-(cyclopropylmethyl)pr…

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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) 2.61 8.08 -7.58 1 4 0 47 249.358 7 ↓
Mid Mid (pH 6-8) 2.61 8.33 -31.87 2 4 1 48 250.366 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1-propyl-pyrazin-2-one 3-[[(1R)-1-(cyclopropylmethyl)pr…

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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) 2.61 8.16 -7.67 1 4 0 47 249.358 7 ↓
Mid Mid (pH 6-8) 2.61 8.4 -31.66 2 4 1 48 250.366 7 ↓

Parameters Provided:

ring.id = 387124
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 = 387124 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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