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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: 2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-1-(1-methylpyrrol-2-yl)ethanone 2-[(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) 3.12 9.79 -7.87 0 2 0 22 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]sulfanyl-1-(1-methylpyrrol-2-yl)ethanone 2-[(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) 3.12 9.56 -7.88 0 2 0 22 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-methylcyclohexyl]sulfanyl-1-(1-methylpyrrol-2-yl)ethanone 2-[(1R,3R)-3-methylcyclohexyl]su…

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) 3.12 9.56 -7.91 0 2 0 22 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-methylcyclohexyl]sulfanyl-1-(1-methylpyrrol-2-yl)ethanone 2-[(1R,3S)-3-methylcyclohexyl]su…

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) 3.12 9.79 -7.85 0 2 0 22 251.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone 2-[(1S,3R)-3-methylcyclohexyl]su…

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) 3.05 8.05 -8.18 1 2 0 33 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone 2-[(1S,3S)-3-methylcyclohexyl]su…

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) 3.05 7.82 -8.19 1 2 0 33 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-methylcyclohexyl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone 2-[(1R,3R)-3-methylcyclohexyl]su…

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) 3.05 7.82 -8.21 1 2 0 33 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-methylcyclohexyl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone 2-[(1R,3S)-3-methylcyclohexyl]su…

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) 3.05 8.05 -8.17 1 2 0 33 237.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3R)-3-methylcyclohexyl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(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) 2.94 8.41 -29.65 0 5 -1 77 281.357 5 ↓
Lo Low (pH 4.5-6) 2.94 8.86 -16 1 5 0 79 282.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S,3S)-3-methylcyclohexyl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(1S,3S)-3-methylcyclohexyl]su…

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) 2.94 8.18 -29.68 0 5 -1 77 281.357 5 ↓
Lo Low (pH 4.5-6) 2.94 8.64 -15.99 1 5 0 79 282.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3R)-3-methylcyclohexyl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(1R,3R)-3-methylcyclohexyl]su…

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) 2.94 8.18 -29.68 0 5 -1 77 281.357 5 ↓
Lo Low (pH 4.5-6) 2.94 8.64 -16.02 1 5 0 79 282.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R,3S)-3-methylcyclohexyl]sulfanyl-1-(4-nitro-1H-pyrrol-2-yl)ethanone 2-[(1R,3S)-3-methylcyclohexyl]su…

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) 2.94 8.41 -29.65 0 5 -1 77 281.357 5 ↓
Lo Low (pH 4.5-6) 2.94 8.86 -16 1 5 0 79 282.365 5 ↓

Parameters Provided:

ring.id = 142277
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 = 142277 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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