UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37841964
37841964
37841965
37841965
37842034
37842034
37842035
37842035

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Popular Name: N-methyl-N-[(1R)-1-(2-thienyl)ethyl]-1H-indole-6-carboxamide N-methyl-N-[(1R)-1-(2-thienyl)et…

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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) 2.96 7.65 -12.77 1 3 0 36 284.384 3 ↓

Analogs

37841964
37841964
37841965
37841965
37842034
37842034
37842035
37842035

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Popular Name: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]-1H-indole-6-carboxamide N-methyl-N-[(1S)-1-(2-thienyl)et…

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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) 2.96 7.7 -11.37 1 3 0 36 284.384 3 ↓

Analogs

57814863
57814863
37841591
37841591

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-1H-indole-6-carboxamide N-[(4-bromo-2-thienyl)methyl]-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) 3.36 6.38 -9.09 2 3 0 45 335.226 3 ↓

Analogs

37842035
37842035
37842034
37842034

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Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-1H-indole-6-carboxamide N-[(1R)-1-(5-methyl-2-thienyl)et…

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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) 3.41 7.43 -9.23 2 3 0 45 284.384 3 ↓

Analogs

37842035
37842035
37842034
37842034

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-1H-indole-6-carboxamide N-[(1S)-1-(5-methyl-2-thienyl)et…

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) 3.41 7.43 -9.22 2 3 0 45 284.384 3 ↓

Analogs

37841057
37841057
37841056
37841056

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Popular Name: N-[(1S)-1-(2-thienyl)propyl]-1H-indole-6-carboxamide N-[(1S)-1-(2-thienyl)propyl]-1H-…

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) 3.69 7.21 -8.47 2 3 0 45 284.384 4 ↓

Analogs

37841057
37841057
37841056
37841056

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)propyl]-1H-indole-6-carboxamide N-[(1R)-1-(2-thienyl)propyl]-1H-…

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) 3.69 7.21 -8.5 2 3 0 45 284.384 4 ↓

Parameters Provided:

ring.id = 13120
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 = 13120 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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