UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33860120
33860120
33860121
33860121

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(4-fluorobenzyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 4.18 11.56 -16.17 1 5 0 63 426.513 7 ↓

Analogs

33860120
33860120
33860121
33860121
34828618
34828618

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Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(4-fluorobenzyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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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) 4.18 11.63 -16.48 1 5 0 63 426.513 7 ↓

Analogs

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Popular Name: N-[(1R)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(4-methylbenzyl)-2-furamide N-[(1R)-2-(cyclopentylamino)-2-k…

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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) 4.47 0.83 -16.12 1 5 0 62 422.55 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(4-methylbenzyl)-2-furamide N-[(1S)-2-(cyclopentylamino)-2-k…

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) 4.47 0.89 -17.03 1 5 0 62 422.55 7 ↓

Analogs

4240645
4240645

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Popular Name: N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-2-furamide N-benzyl-N-[(1R)-2-(cyclopentyla…

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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) 4.02 0.51 -16.14 1 5 0 62 408.523 7 ↓

Parameters Provided:

ring.id = 225675
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 = 225675 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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