UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

50989435
50989435
51920963
51920963
51920965
51920965
35140290
35140290

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Popular Name: 2-(cyclopropylamino)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)acetamide 2-(cyclopropylamino)-N-[(1S)-1-c…

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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) 1.00 6.1 -36.95 2 4 1 46 241.355 8 ↓
Hi High (pH 8-9.5) 1.00 4.84 -8.6 1 4 0 42 240.347 8 ↓

Analogs

50989435
50989435
51920963
51920963
51920965
51920965
35140290
35140290

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylamino)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)acetamide 2-(cyclopropylamino)-N-[(1R)-1-c…

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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) 1.00 6.54 -37.18 2 4 1 46 241.355 8 ↓
Hi High (pH 8-9.5) 1.00 5.25 -8.48 1 4 0 42 240.347 8 ↓

Analogs

19385400
19385400
20036026
20036026
20036522
20036522

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Popular Name: 2-(cyclopropylamino)-N-(cyclopropylmethyl)-N-methyl-acetamide 2-(cyclopropylamino)-N-(cyclopro…

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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) 0.68 5.16 -37.25 2 3 1 37 183.275 5 ↓
Hi High (pH 8-9.5) 0.68 3.88 -7.92 1 3 0 32 182.267 5 ↓

Analogs

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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) 1.42 6.61 -36.69 2 5 1 60 255.338 9 ↓
Mid Mid (pH 6-8) 1.42 4.77 -11.19 1 5 0 59 254.33 9 ↓

Parameters Provided:

ring.id = 206194
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 = 206194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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