UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52182575
52182575
52182577
52182577

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Popular Name: N-cyclopropyl-2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylmeth…

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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) 1.74 9.21 -40.8 2 4 1 46 289.399 8 ↓
Hi High (pH 8-9.5) 1.74 7.83 -7.64 1 4 0 42 288.391 8 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(cyclopropylmethylamino)-N-[(3,4-dichlorophenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylmeth…

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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) 3.02 9.42 -43.99 2 3 1 37 328.263 7 ↓
Hi High (pH 8-9.5) 3.02 8.06 -6.33 1 3 0 32 327.255 7 ↓

Analogs

48736126
48736126
49238080
49238080

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Popular Name: N-cyclopropyl-2-(cyclopropylmethylamino)-N-[(3-hydroxyphenyl)methyl]acetamide N-cyclopropyl-2-(cyclopropylmeth…

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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) 1.23 5.59 -44.02 3 4 1 57 275.372 7 ↓
Hi High (pH 8-9.5) 1.23 4.23 -8.36 2 4 0 53 274.364 7 ↓

Parameters Provided:

ring.id = 32167
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 = 32167 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=32167&filter.purchasability=annotated

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