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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylacetonitrile 2-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 3.42 8.7 -14.12 0 6 0 71 412.54 5 ↓

Analogs

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Popular Name: ethyl-isopropylsulfanyl-(3-methoxyphenyl)BLAHone ethyl-isopropylsulfanyl-(3-metho…

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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) 4.38 9.95 -11.87 0 5 0 47 415.584 5 ↓

Analogs

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Popular Name: acetonylsulfanyl-ethyl-(3-methoxyphenyl)BLAHone acetonylsulfanyl-ethyl-(3-methox…

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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) 3.18 8.87 -15.7 0 6 0 64 429.567 6 ↓

Analogs

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Popular Name: methyl 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) 3.50 8.96 -13.85 0 7 0 74 445.566 7 ↓

Analogs

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Popular Name: (3,3-dimethyl-2-oxo-butyl)sulfanyl-ethyl-(3-methoxyphenyl)BLAHone (3,3-dimethyl-2-oxo-butyl)sulfan…

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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) 4.51 10.75 -14.28 0 6 0 64 471.648 7 ↓

Analogs

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Popular Name: [(E)-3-chloroprop-2-enyl]sulfanyl-ethyl-(3-methoxyphenyl)BLAHone [(E)-3-chloroprop-2-enyl]sulfany…

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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) 4.42 10.11 -12.19 0 5 0 47 448.013 6 ↓

Analogs

12631696
12631696

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Popular Name: 3-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylpropanenitrile 3-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 3.09 9.48 -17.54 0 6 0 71 426.567 6 ↓

Analogs

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Popular Name: N-carbamoyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-acetamide N-carbamoyl-2-[ethyl-(3-methoxyp…

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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) 2.02 5.25 -30.07 3 9 0 120 473.58 6 ↓

Analogs

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Popular Name: 2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-N-sec-butyl-acetamide 2-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 3.95 9.09 -17.44 1 7 0 76 486.663 8 ↓

Analogs

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Popular Name: 2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-N-sec-butyl-acetamide 2-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 3.95 9.1 -17.36 1 7 0 76 486.663 8 ↓

Analogs

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Popular Name: N-tert-butyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-acetamide N-tert-butyl-2-[ethyl-(3-methoxy…

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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) 3.93 8.62 -16.82 1 7 0 76 486.663 7 ↓

Analogs

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Popular Name: 2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-N-methyl-acetamide 2-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 2.74 6.49 -18.21 1 7 0 76 444.582 6 ↓

Analogs

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Popular Name: N-allyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-acetamide N-allyl-2-[ethyl-(3-methoxypheny…

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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) 3.39 7.89 -17.17 1 7 0 76 470.62 8 ↓

Analogs

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Popular Name: 2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-N-propyl-acetamide 2-[ethyl-(3-methoxyphenyl)-oxo-B…

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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) 3.62 8.08 -17.44 1 7 0 76 472.636 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 4.68 10.99 -13.1 0 7 0 74 487.647 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-carbamoyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-propanamide (2S)-N-carbamoyl-2-[ethyl-(3-met…

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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 6.5 -29.5 3 9 0 120 487.607 6 ↓

Analogs

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Popular Name: (2R)-N-carbamoyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-propanamide (2R)-N-carbamoyl-2-[ethyl-(3-met…

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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 6.22 -29.38 3 9 0 120 487.607 6 ↓

Analogs

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Popular Name: (2S)-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylpropanamide (2S)-2-[ethyl-(3-methoxyphenyl)-…

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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) 2.73 5.93 -18.34 2 7 0 90 444.582 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylpropanamide (2R)-2-[ethyl-(3-methoxyphenyl)-…

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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) 2.73 5.93 -18.06 2 7 0 90 444.582 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylpropanenitrile (2S)-2-[ethyl-(3-methoxyphenyl)-…

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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) 3.78 9.64 -12.84 0 6 0 71 426.567 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylpropanenitrile (2R)-2-[ethyl-(3-methoxyphenyl)-…

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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) 3.78 9.64 -12.88 0 6 0 71 426.567 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

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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) 4.24 10.59 -13.5 0 7 0 74 473.62 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-ethyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-propanamide (2R)-N-ethyl-2-[ethyl-(3-methoxy…

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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) 3.48 8.56 -17.41 1 7 0 76 472.636 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-ethyl-2-[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanyl-propanamide (2S)-N-ethyl-2-[ethyl-(3-methoxy…

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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) 3.48 8.29 -17.36 1 7 0 76 472.636 7 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(2-diethylaminoethylamino)-methyl-BLAHone (3-chlorophenyl)-(2-diethylamino…

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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) 3.92 12.18 -49.02 2 6 1 55 447.028 7 ↓
Hi High (pH 8-9.5) 3.92 9.9 -10.9 1 6 0 53 446.02 7 ↓

Analogs

39869588
39869588

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Popular Name: 2-hydroxyethylsulfanyl-(4-methoxyphenyl)-methyl-BLAHone 2-hydroxyethylsulfanyl-(4-methox…

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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) 2.44 5.06 -13.52 1 6 0 68 403.529 5 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(3-dimethylaminopropylamino)-methyl-BLAHone (3-chlorophenyl)-(3-dimethylamin…

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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) 3.44 11.82 -50.19 2 6 1 55 433.001 6 ↓

Analogs

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Popular Name: 2-dimethylaminoethylsulfanyl-(4-methoxyphenyl)-methyl-BLAHone 2-dimethylaminoethylsulfanyl-(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) 3.10 9.87 -48.49 1 6 1 52 431.607 6 ↓
Hi High (pH 8-9.5) 3.10 7.33 -10.55 0 6 0 51 430.599 6 ↓

Analogs

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Popular Name: 2-dimethylaminoethylsulfanyl-methyl-phenyl-BLAHone 2-dimethylaminoethylsulfanyl-met…

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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) 3.05 10.56 -48.18 1 5 1 43 401.581 5 ↓
Hi High (pH 8-9.5) 3.05 8.02 -10.79 0 5 0 41 400.573 5 ↓

Analogs

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Popular Name: (3-chlorophenyl)-(isobutylamino)-methyl-BLAHone (3-chlorophenyl)-(isobutylamino)…

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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) 4.26 11.11 -10.81 1 5 0 50 402.951 4 ↓

Analogs

39869412
39869412
39869415
39869415
39869429
39869429
39869525
39869525
39869528
39869528

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Popular Name: 2-methoxyethylsulfanyl-(4-methoxyphenyl)-methyl-BLAHone 2-methoxyethylsulfanyl-(4-methox…

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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) 3.06 7.49 -11.33 0 6 0 57 417.556 6 ↓

Parameters Provided:

ring.id = 41394
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 = 41394 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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