UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[3-(2-aminoethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide 2-[3-(2-aminoethyl)indol-1-yl]-N…

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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) 1.12 6.15 -53.02 4 4 1 62 272.372 6 ↓

Analogs

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Popular Name: 2-(3-bromo-2-methyl-indol-1-yl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]acetamide 2-(3-bromo-2-methyl-indol-1-yl)-…

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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) 3.77 8.98 -12.95 1 3 0 34 335.245 4 ↓

Analogs

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Popular Name: 2-(3-bromo-2-methyl-indol-1-yl)-N-[[(1S,2S)-2-methylcyclopropyl]methyl]acetamide 2-(3-bromo-2-methyl-indol-1-yl)-…

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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) 3.77 9.05 -12.84 1 3 0 34 335.245 4 ↓

Analogs

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Popular Name: 2-(3-bromo-2-methyl-indol-1-yl)-N-[[(1R,2R)-2-methylcyclopropyl]methyl]acetamide 2-(3-bromo-2-methyl-indol-1-yl)-…

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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) 3.77 9.05 -12.87 1 3 0 34 335.245 4 ↓

Analogs

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Popular Name: 2-(3-bromo-2-methyl-indol-1-yl)-N-[[(1S,2R)-2-methylcyclopropyl]methyl]acetamide 2-(3-bromo-2-methyl-indol-1-yl)-…

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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) 3.77 8.98 -12.89 1 3 0 34 335.245 4 ↓

Analogs

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Popular Name: 2-(6-aminoindol-1-yl)-N-(cyclopropylmethyl)acetamide 2-(6-aminoindol-1-yl)-N-(cyclopr…

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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) 1.26 5.2 -13.37 3 4 0 60 243.31 4 ↓

Analogs

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Popular Name: 1-[2-(cyclopropylmethylamino)-2-oxo-ethyl]indole-4-carboxylic 1-[2-(cyclopropylmethylamino)-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) 1.73 7.76 -68.1 1 5 -1 74 271.296 5 ↓

Analogs

34978305
34978305

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Popular Name: N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-indol-1-yl-acetamide N-[[1-(hydroxymethyl)cyclopropyl…

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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) 1.15 4.52 -15.56 2 4 0 54 258.321 5 ↓

Parameters Provided:

ring.id = 316791
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 = 316791 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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