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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(1S,2R)-1-[(3-chlorophenyl)carbamoyl]-2-methyl-butyl]-oxo-BLAHcarboxamide N-[(1S,2R)-1-[(3-chlorophenyl)ca…

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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) 4.13 9.94 -20.9 2 7 0 83 456.974 5 ↓

Analogs

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Popular Name: keto-N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-(methylthio)propyl]BLAHcarboxamide keto-N-[(1S)-1-[(4-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) 2.71 -2.74 -24.37 2 8 0 92 470.595 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2,4-difluorophenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(2,4-difluorophenyl)c…

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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) 3.23 -0.3 -19.3 2 7 0 83 444.482 4 ↓

Analogs

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Popular Name: keto-N-[(1S)-3-methyl-1-(p-cumenylcarbamoyl)butyl]BLAHcarboxamide keto-N-[(1S)-3-methyl-1-(p-cumen…

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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) 5.02 -1.08 -22.44 2 7 0 83 464.61 6 ↓

Analogs

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Popular Name: keto-N-[(1S)-2-methyl-1-(m-tolylcarbamoyl)propyl]BLAHcarboxamide keto-N-[(1S)-2-methyl-1-(m-tolyl…

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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) 3.40 9.5 -21.92 2 7 0 83 422.529 4 ↓
Hi High (pH 8-9.5) 2.66 5.59 -26.75 2 7 0 90 422.529 5 ↓

Analogs

2149155
2149155

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Popular Name: N-[(1S)-2-(3,4-difluoroanilino)-2-keto-1-methyl-ethyl]-keto-BLAHcarboxamide N-[(1S)-2-(3,4-difluoroanilino)-…

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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) 2.46 7.76 -27.84 2 7 0 83 416.428 3 ↓
Hi High (pH 8-9.5) 1.72 2.78 -19.49 2 7 0 90 416.428 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3-chlorophenyl)carbamoyl]-3-(methylthio)propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3-chlorophenyl)carba…

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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) 3.31 -2.9 -24.45 2 7 0 83 475.014 6 ↓

Analogs

9034093
9034093

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Popular Name: N-[(1S)-1-[(4-acetamidophenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(4-acetamidophenyl)ca…

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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) 2.20 7.73 -26.1 3 9 0 113 465.554 5 ↓

Analogs

2147072
2147072

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Popular Name: N-[(1S)-1-[(3-fluorophenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3-fluorophenyl)carba…

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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 -0.47 -23.77 2 7 0 83 426.492 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2-chlorophenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(2-chlorophenyl)carba…

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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) 3.61 -1.75 -20.57 2 7 0 83 442.947 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[(4-bromo-2-fluoro-phenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(4-bromo-2-fluoro-phe…

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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) 3.88 -1.28 -20.11 2 7 0 83 505.388 4 ↓

Analogs

9034093
9034093

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Popular Name: N-[(1S)-1-[(4-ethylphenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(4-ethylphenyl)carbam…

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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) 3.89 -1.24 -21.25 2 7 0 83 436.556 5 ↓

Analogs

2146957
2146957

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Popular Name: N-[(1S)-1-[(4-butoxyphenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(4-butoxyphenyl)carba…

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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) 4.47 -1.55 -22.17 2 8 0 92 480.609 8 ↓

Analogs

2146957
2146957
5169750
5169750
5169751
5169751

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Popular Name: keto-N-[(1S)-2-methyl-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]propyl]BLAHcarboxamide keto-N-[(1S)-2-methyl-1-[[4-(tri…

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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 8.71 -19.52 2 8 0 93 492.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-1-[(3-chlorophenyl)carbamoyl]-2-methyl-butyl]-keto-BLAHcarboxamide N-[(1S,2R)-1-[(3-chlorophenyl)ca…

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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) 4.14 10.04 -19.98 2 7 0 83 456.974 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3-chlorophenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3-chlorophenyl)carba…

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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) 3.63 -1.97 -24.83 2 7 0 83 442.947 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[(3,4-dimethoxyphenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3,4-dimethoxyphenyl)…

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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) 2.63 7.93 -25.17 2 9 0 102 468.554 6 ↓

Analogs

9034093
9034093

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Popular Name: N-[(1S)-1-[(3,5-dimethylphenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3,5-dimethylphenyl)c…

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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) 3.80 10.29 -22.42 2 7 0 83 436.556 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(3,5-dimethoxyphenyl)carbamoyl]-3-(methylthio)propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(3,5-dimethoxyphenyl)…

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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) 2.69 -2.71 -26.03 2 9 0 101 500.621 8 ↓

Analogs

2147580
2147580

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Popular Name: keto-N-[(1S)-3-(methylthio)-1-(p-tolylcarbamoyl)propyl]BLAHcarboxamide keto-N-[(1S)-3-(methylthio)-1-(p…

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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 -2.43 -22.99 2 7 0 83 454.596 6 ↓

Analogs

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Popular Name: N-[(1S)-1-[(2,3-dimethylphenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(2,3-dimethylphenyl)c…

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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 -0.94 -23.38 2 7 0 83 436.556 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[(5-chloro-2-methyl-phenyl)carbamoyl]-2-methyl-propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(5-chloro-2-methyl-ph…

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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) 4.03 -1.39 -23.33 2 7 0 83 456.974 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[(2-fluorophenyl)carbamoyl]-3-(methylthio)propyl]-keto-BLAHcarboxamide N-[(1S)-1-[(2-fluorophenyl)carba…

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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) 2.77 -1.92 -21.93 2 7 0 83 458.559 6 ↓

Parameters Provided:

ring.id = 194908
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 = 194908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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