UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37814717
37814717
37814718
37814718

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)cyclopentanecarboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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) 1.18 3.46 -6.75 1 3 0 41 197.278 4 ↓

Analogs

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Popular Name: N-cyclopropyl-1-(ethylcarbamoylamino)cyclopentanecarboxamide N-cyclopropyl-1-(ethylcarbamoyla…

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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) 1.07 1.88 -15.53 3 5 0 70 239.319 4 ↓

Analogs

36136847
36136847
36200095
36200095
19474584
19474584

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Popular Name: 1-amino-N-cyclopropyl-N-(2-methoxyethyl)cyclopentanecarboxamide 1-amino-N-cyclopropyl-N-(2-metho…

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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) 0.89 3.46 -45.56 3 4 1 57 227.328 5 ↓
Hi High (pH 8-9.5) 0.89 3.26 -8.35 2 4 0 56 226.32 5 ↓

Analogs

59140651
59140651
59140652
59140652
59484701
59484701
59484705
59484705
59484707
59484707

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Popular Name: ethyl ethyl

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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 4.97 -45.4 3 5 1 74 255.338 6 ↓
Mid Mid (pH 6-8) 1.15 4.76 -9.26 2 5 0 73 254.33 6 ↓

Parameters Provided:

ring.id = 63474
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 = 63474 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=63474&filter.purchasability=annotated

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