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

Analogs

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Popular Name: (3-amino-2-thienyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone (3-amino-2-thienyl)-[(2S)-2-(1-m…

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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) 2.90 7.3 -8.71 2 4 0 51 303.431 2 ↓
Lo Low (pH 4.5-6) 2.90 7.13 -36.03 3 4 1 53 304.439 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-amino-2-thienyl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone (3-amino-2-thienyl)-[(2R)-2-(1-m…

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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) 2.90 7.28 -8.79 2 4 0 51 303.431 2 ↓
Lo Low (pH 4.5-6) 2.90 7.19 -38.17 3 4 1 53 304.439 2 ↓

Analogs

36394334
36394334
40216074
40216074
40216075
40216075
57816878
57816878
57816880
57816880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]acetamide N-[5-[(2R)-2-(1-methylpyrrol-2-y…

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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) 2.83 8.35 -15.48 1 5 0 54 345.468 3 ↓

Analogs

36394334
36394334
40216074
40216074
40216075
40216075
57816878
57816878
57816880
57816880

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]acetamide N-[5-[(2S)-2-(1-methylpyrrol-2-y…

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) 2.83 8.47 -15.13 1 5 0 54 345.468 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2R)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]methyl]acetamide N-[[5-[(2R)-2-(1-methylpyrrol-2-…

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) 2.65 8.52 -12.78 1 5 0 54 359.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]-2-thienyl]methyl]acetamide N-[[5-[(2S)-2-(1-methylpyrrol-2-…

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) 2.65 8.4 -13.93 1 5 0 54 359.495 4 ↓

Parameters Provided:

ring.id = 16784
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 = 16784 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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