UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

55100171
55100171
61897068
61897068
61897071
61897071
19802527
19802527
37816855
37816855

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Popular Name: 1-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentanecarboxamide 1-amino-N-cyclopropyl-N-[(2-meth…

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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) 2.32 7.11 -43.59 3 4 1 57 289.399 5 ↓
Hi High (pH 8-9.5) 2.32 7 -7.4 2 4 0 56 288.391 5 ↓

Analogs

45414088
45414088
45414089
45414089
55384949
55384949
34947556
34947556
34947554
34947554

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Popular Name: 1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclopentanecarboxamide 1-amino-N-cyclopropyl-N-[(3,4-di…

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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) 3.59 7.35 -45.86 3 3 1 48 328.263 4 ↓
Hi High (pH 8-9.5) 3.59 7.15 -5.48 2 3 0 46 327.255 4 ↓

Analogs

61907701
61907701
61907702
61907702
61929289
61929289
61929292
61929292
36135181
36135181

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Popular Name: 1-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopentanecarboxamide 1-amino-N-cyclopropyl-N-[(3-hydr…

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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) 1.81 3.53 -47.1 4 4 1 68 275.372 4 ↓
Hi High (pH 8-9.5) 1.81 3.33 -7.65 3 4 0 67 274.364 4 ↓

Parameters Provided:

ring.id = 577707
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 = 577707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=577707&filter.purchasability=annotated

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