UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[[2-(furan-2-carbonylamino)acetyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[2-(furan-2-carbonylamino)ace…

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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) 1.53 3.36 -58.32 2 7 -1 111 307.307 5 ↓

Analogs

13324224
13324224

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Popular Name: 2-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]thiophene-3-carboxylic 2-[[2-[furan-2-carbonyl(methyl)a…

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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) 1.09 5.23 -56.53 1 7 -1 103 307.307 5 ↓

Analogs

37224397
37224397
13324224
13324224
36476319
36476319

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Popular Name: 2-[[(2S)-2-(furan-2-carbonylamino)propanoyl]amino]thiophene-3-carboxylic 2-[[(2S)-2-(furan-2-carbonylamin…

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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) 0.81 3.62 -51.13 2 7 -1 111 307.307 5 ↓

Analogs

37224397
37224397
13324224
13324224
36476319
36476319

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(2R)-2-(furan-2-carbonylamino)propanoyl]amino]thiophene-3-carboxylic 2-[[(2R)-2-(furan-2-carbonylamin…

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) 0.81 3.62 -51.13 2 7 -1 111 307.307 5 ↓

Parameters Provided:

ring.id = 128565
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 = 128565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=128565&filter.purchasability=annotated

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