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

Analogs

44514976
44514976
44514980
44514980
45628600
45628600
45628601
45628601

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Popular Name: 1-(cyclobutylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic 1-(cyclobutylmethyl)-2,5-dimethy…

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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) 1.91 8.39 -57.41 0 3 -1 45 206.265 3 ↓

Analogs

45630700
45630700
45630702
45630702

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Popular Name: 1-(cyclobutylmethyl)-2,5-dimethyl-pyrrole-3-carbaldehyde 1-(cyclobutylmethyl)-2,5-dimethy…

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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) 2.13 7.59 -9.85 0 2 0 22 191.274 3 ↓

Analogs

45630905
45630905
45630907
45630907
45630909
45630909
45630911
45630911

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Popular Name: (2R)-2-chloro-1-[1-(cyclobutylmethyl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[1-(cyclobutylme…

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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 9.46 -5.62 0 2 0 22 253.773 4 ↓

Analogs

45630905
45630905
45630907
45630907
45630909
45630909
45630911
45630911

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Popular Name: (2S)-2-chloro-1-[1-(cyclobutylmethyl)-2,5-dimethyl-pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[1-(cyclobutylme…

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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 9.72 -7.37 0 2 0 22 253.773 4 ↓

Analogs

45630902
45630902
45630904
45630904

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-1-[1-(cyclobutylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone 2-chloro-1-[1-(cyclobutylmethyl)…

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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 9.06 -7.56 0 2 0 22 239.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-1-(cyclobutylmethyl)-4,5-dimethyl-pyrrole-3-carbonitrile 2-amino-1-(cyclobutylmethyl)-4,5…

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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) 1.85 7.4 -8.19 2 3 0 55 203.289 2 ↓

Parameters Provided:

ring.id = 543776
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 = 543776 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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