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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,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrazin-2-one 3-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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 6.78 -7.91 1 4 0 47 235.331 2 ↓
Mid Mid (pH 6-8) 1.88 7.12 -32.7 2 4 1 48 236.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrazin-2-one 3-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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 6.16 -8.06 1 4 0 47 235.331 2 ↓
Mid Mid (pH 6-8) 1.88 6.5 -32.2 2 4 1 48 236.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrazin-2-one 3-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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 6.5 -7.9 1 4 0 47 235.331 2 ↓
Mid Mid (pH 6-8) 1.88 6.82 -31.98 2 4 1 48 236.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-methyl-pyrazin-2-one 3-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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 6.26 -7.94 1 4 0 47 235.331 2 ↓
Mid Mid (pH 6-8) 1.88 6.59 -32.07 2 4 1 48 236.339 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 3.00 8.99 -7.11 1 4 0 47 277.412 4 ↓
Mid Mid (pH 6-8) 3.00 9.33 -32.46 2 4 1 48 278.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 3.00 8.38 -7.24 1 4 0 47 277.412 4 ↓
Mid Mid (pH 6-8) 3.00 8.72 -31.91 2 4 1 48 278.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 3.00 8.72 -7.09 1 4 0 47 277.412 4 ↓
Mid Mid (pH 6-8) 3.00 9.04 -31.74 2 4 1 48 278.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isobutyl-pyrazin-2-one 3-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 3.00 8.47 -7.02 1 4 0 47 277.412 4 ↓
Mid Mid (pH 6-8) 3.00 8.8 -31.79 2 4 1 48 278.42 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1S,2R,4R)-2,4-…

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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) 3.07 8.6 -6.83 1 4 0 47 277.412 3 ↓
Lo Low (pH 4.5-6) 3.07 8.94 -31.17 2 4 1 48 278.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1S,2R,4S)-2,4-…

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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) 3.07 7.98 -6.97 1 4 0 47 277.412 3 ↓
Lo Low (pH 4.5-6) 3.07 8.32 -30.6 2 4 1 48 278.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1R,2R,4R)-2,4-…

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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) 3.07 8.32 -6.8 1 4 0 47 277.412 3 ↓
Lo Low (pH 4.5-6) 3.07 8.65 -30.38 2 4 1 48 278.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-tert-butyl-3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]pyrazin-2-one 1-tert-butyl-3-[[(1R,2R,4S)-2,4-…

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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) 3.07 8.08 -6.82 1 4 0 47 277.412 3 ↓
Lo Low (pH 4.5-6) 3.07 8.41 -30.39 2 4 1 48 278.42 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1R,2S,4S)-2,4-dimethylcyclo…

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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) 2.26 7.72 -7.86 1 4 0 47 249.358 3 ↓
Mid Mid (pH 6-8) 2.26 8.06 -32.59 2 4 1 48 250.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1S,2S,4S)-2,4-dimethylcyclo…

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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) 2.26 7.43 -7.81 1 4 0 47 249.358 3 ↓
Mid Mid (pH 6-8) 2.26 7.76 -31.8 2 4 1 48 250.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1R,2S,4R)-2,4-dimethylcyclo…

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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) 2.26 7.1 -7.92 1 4 0 47 249.358 3 ↓
Mid Mid (pH 6-8) 2.26 7.43 -32.05 2 4 1 48 250.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]-1-ethyl-pyrazin-2-one 3-[[(1S,2S,4R)-2,4-dimethylcyclo…

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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) 2.26 7.2 -7.78 1 4 0 47 249.358 3 ↓
Mid Mid (pH 6-8) 2.26 7.53 -31.88 2 4 1 48 250.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 2.62 8.14 -7.45 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.62 8.48 -31.91 2 4 1 48 264.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 2.62 7.52 -7.61 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.62 7.86 -31.34 2 4 1 48 264.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 2.62 7.86 -7.45 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.62 8.19 -31.11 2 4 1 48 264.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1-isopropyl-pyrazin-2-one 3-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 2.62 7.62 -7.41 1 4 0 47 263.385 3 ↓
Lo Low (pH 4.5-6) 2.62 7.95 -31.12 2 4 1 48 264.393 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrazin-2-one 3-[[(1R,2S,4S)-2,4-dimethylcyclo…

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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) 2.76 8.48 -7.59 1 4 0 47 263.385 4 ↓
Mid Mid (pH 6-8) 2.76 8.81 -32.75 2 4 1 48 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrazin-2-one 3-[[(1S,2S,4S)-2,4-dimethylcyclo…

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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) 2.76 8.19 -7.57 1 4 0 47 263.385 4 ↓
Mid Mid (pH 6-8) 2.76 8.52 -31.97 2 4 1 48 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S,4R)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrazin-2-one 3-[[(1R,2S,4R)-2,4-dimethylcyclo…

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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) 2.76 7.85 -7.72 1 4 0 47 263.385 4 ↓
Mid Mid (pH 6-8) 2.76 8.19 -32.2 2 4 1 48 264.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S,4R)-2,4-dimethylcyclohexyl]amino]-1-propyl-pyrazin-2-one 3-[[(1S,2S,4R)-2,4-dimethylcyclo…

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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) 2.76 7.96 -7.59 1 4 0 47 263.385 4 ↓
Mid Mid (pH 6-8) 2.76 8.28 -32.02 2 4 1 48 264.393 4 ↓

Parameters Provided:

ring.id = 524621
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 524621 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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