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

Analogs

36163595
36163595
52299180
52299180
52299183
52299183
52299185
52299185
52299187
52299187

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Popular Name: N-[(1S)-1-cyclopropylethyl]-1H-indole-4-carboxamide N-[(1S)-1-cyclopropylethyl]-1H-i…

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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) 2.51 5.91 -12.16 2 3 0 45 228.295 3 ↓

Analogs

52299180
52299180
52299183
52299183
52299185
52299185
52299187
52299187
36163593
36163593

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Popular Name: N-[(1R)-1-cyclopropylethyl]-1H-indole-4-carboxamide N-[(1R)-1-cyclopropylethyl]-1H-i…

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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) 2.51 5.91 -12.12 2 3 0 45 228.295 3 ↓

Analogs

36164321
36164321
37841243
37841243
37841372
37841372
37841621
37841621
37841622
37841622

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-methyl-1H-indole-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N-me…

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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) 2.28 7.3 -12.62 1 3 0 36 242.322 3 ↓

Analogs

37841243
37841243
37841621
37841621
37841622
37841622
37842346
37842346
37842347
37842347

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N-methyl-1H-indole-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N-me…

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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) 2.28 7.37 -12.56 1 3 0 36 242.322 3 ↓

Analogs

52299180
52299180
52299183
52299183
52299185
52299185
52299187
52299187

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Popular Name: N-(cyclopropylmethyl)-1H-indole-4-carboxamide N-(cyclopropylmethyl)-1H-indole-…

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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) 2.17 5.18 -12.06 2 3 0 45 214.268 3 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-ethyl-1H-indole-4-carboxamide N-(cyclopropylmethyl)-N-ethyl-1H…

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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) 2.33 8.02 -12.1 1 3 0 36 242.322 4 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-(1H-indole-4-carbonylamino)propanoic (2R)-2-cyclopropyl-2-(1H-indole-…

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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) -0.12 6.77 -65.88 2 5 -1 85 271.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-(1H-indole-4-carbonylamino)propanoic (2S)-2-cyclopropyl-2-(1H-indole-…

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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) -0.12 6.78 -65.22 2 5 -1 85 271.296 4 ↓

Analogs

36164321
36164321
36164318
36164318

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-1H-indole-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N-(2…

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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 6.55 -13.18 1 4 0 45 286.375 6 ↓

Analogs

36164321
36164321
36164318
36164318

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-1H-indole-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N-(2…

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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) 2.26 6.78 -16.34 1 4 0 45 286.375 6 ↓

Analogs

36200487
36200487

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Popular Name: N-(cyclopropylmethyl)-N-methyl-1H-indole-4-carboxamide N-(cyclopropylmethyl)-N-methyl-1…

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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) 1.95 6.97 -12.92 1 3 0 36 228.295 3 ↓

Parameters Provided:

ring.id = 80658
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 = 80658 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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