UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5338779
5338779

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Popular Name: 2-(cyclopentylamino)-N-ethyl-N-(4-pyridylmethyl)acetamide 2-(cyclopentylamino)-N-ethyl-N-(…

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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) 1.33 6.96 -41.69 2 4 1 50 262.377 6 ↓
Hi High (pH 8-9.5) 1.33 5.76 -9.01 1 4 0 45 261.369 6 ↓
Lo Low (pH 4.5-6) 1.33 7.41 -87.14 3 4 2 51 263.385 6 ↓

Analogs

35124968
35124968
35124971
35124971

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Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1S)-1-(4-pyridyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.52 6.95 -43.87 2 4 1 50 262.377 5 ↓
Hi High (pH 8-9.5) 1.52 5.78 -8.81 1 4 0 45 261.369 5 ↓
Lo Low (pH 4.5-6) 1.52 7.41 -89.95 3 4 2 51 263.385 5 ↓

Analogs

35124968
35124968
35124971
35124971

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopentylamino)-N-methyl-N-[(1R)-1-(4-pyridyl)ethyl]acetamide 2-(cyclopentylamino)-N-methyl-N-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.52 6.19 -43.65 2 4 1 50 262.377 5 ↓
Hi High (pH 8-9.5) 1.52 5.02 -9.6 1 4 0 45 261.369 5 ↓
Lo Low (pH 4.5-6) 1.52 6.64 -88.98 3 4 2 51 263.385 5 ↓

Parameters Provided:

ring.id = 579189
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 = 579189 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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