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Popular Name: 3-[(1S,3R)-3-methylcyclohexyl]sulfanylpyrazine-2-carbonitrile 3-[(1S,3R)-3-methylcyclohexyl]su…

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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 6.62 -7.97 0 3 0 50 233.34 2 ↓

Analogs

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Popular Name: 3-[(1S,3S)-3-methylcyclohexyl]sulfanylpyrazine-2-carbonitrile 3-[(1S,3S)-3-methylcyclohexyl]su…

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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 6.4 -8.03 0 3 0 50 233.34 2 ↓

Analogs

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Popular Name: 3-[(1R,3R)-3-methylcyclohexyl]sulfanylpyrazine-2-carbonitrile 3-[(1R,3R)-3-methylcyclohexyl]su…

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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 6.4 -8.01 0 3 0 50 233.34 2 ↓

Analogs

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Popular Name: 3-[(1R,3S)-3-methylcyclohexyl]sulfanylpyrazine-2-carbonitrile 3-[(1R,3S)-3-methylcyclohexyl]su…

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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 6.62 -8 0 3 0 50 233.34 2 ↓

Analogs

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Popular Name: 3-[(1S,3R)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxamidine 3-[(1S,3R)-3-methylcyclohexyl]su…

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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 4.12 -28.71 4 4 1 77 251.379 3 ↓

Analogs

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Popular Name: 3-[(1S,3S)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxamidine 3-[(1S,3S)-3-methylcyclohexyl]su…

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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 3.89 -28.67 4 4 1 77 251.379 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(1S,3R)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-6-[(1S,3R)-3-methylcycl…

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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) 3.67 6.82 -2.65 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(1S,3S)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-6-[(1S,3S)-3-methylcycl…

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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) 3.67 6.6 -2.69 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(1R,3R)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-6-[(1R,3R)-3-methylcycl…

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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) 3.67 6.6 -2.69 0 2 0 26 242.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[(1R,3S)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-6-[(1R,3S)-3-methylcycl…

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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) 3.67 6.82 -2.64 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-3-[(1S,3R)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-3-[(1S,3R)-3-methylcycl…

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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) 3.67 6.8 -5.31 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-3-[(1S,3S)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-3-[(1S,3S)-3-methylcycl…

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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) 3.67 6.57 -5.31 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-3-[(1R,3R)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-3-[(1R,3R)-3-methylcycl…

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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) 3.67 6.57 -5.32 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: 2-chloro-3-[(1R,3S)-3-methylcyclohexyl]sulfanyl-pyrazine 2-chloro-3-[(1R,3S)-3-methylcycl…

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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) 3.67 6.8 -5.29 0 2 0 26 242.775 2 ↓

Analogs

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Popular Name: [3-[(1S,3R)-3-methylcyclohexyl]sulfanylpyrazin-2-yl]methanamine [3-[(1S,3R)-3-methylcyclohexyl]s…

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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) 2.29 4.28 -39.95 3 3 1 53 238.38 3 ↓
Mid Mid (pH 6-8) 2.29 3.88 -4.89 2 3 0 52 237.372 3 ↓

Analogs

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Popular Name: [3-[(1S,3S)-3-methylcyclohexyl]sulfanylpyrazin-2-yl]methanamine [3-[(1S,3S)-3-methylcyclohexyl]s…

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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) 2.29 4.06 -39.86 3 3 1 53 238.38 3 ↓
Mid Mid (pH 6-8) 2.29 3.65 -4.91 2 3 0 52 237.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(1R,3R)-3-methylcyclohexyl]sulfanylpyrazin-2-yl]methanamine [3-[(1R,3R)-3-methylcyclohexyl]s…

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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) 2.29 4.06 -39.81 3 3 1 53 238.38 3 ↓
Mid Mid (pH 6-8) 2.29 3.65 -4.91 2 3 0 52 237.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(1R,3S)-3-methylcyclohexyl]sulfanylpyrazin-2-yl]methanamine [3-[(1R,3S)-3-methylcyclohexyl]s…

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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) 2.29 4.28 -39.89 3 3 1 53 238.38 3 ↓
Mid Mid (pH 6-8) 2.29 3.88 -4.88 2 3 0 52 237.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3R)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxylic 3-[(1S,3R)-3-methylcyclohexyl]su…

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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) 2.67 6.85 -51.43 0 4 -1 66 251.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S,3S)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxylic 3-[(1S,3S)-3-methylcyclohexyl]su…

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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) 2.67 6.62 -51.5 0 4 -1 66 251.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3R)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxylic 3-[(1R,3R)-3-methylcyclohexyl]su…

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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) 2.67 6.62 -51.52 0 4 -1 66 251.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R,3S)-3-methylcyclohexyl]sulfanylpyrazine-2-carboxylic 3-[(1R,3S)-3-methylcyclohexyl]su…

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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) 2.67 6.86 -51.36 0 4 -1 66 251.331 3 ↓

Parameters Provided:

ring.id = 141686
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 141686 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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