UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43609319
43609319

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Popular Name: (2,5-dimethyl-3-furyl)-[(3R)-tetrahydrofuran-3-yl]methanone (2,5-dimethyl-3-furyl)-[(3R)-tet…

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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) 1.34 4.77 -7.8 0 3 0 39 194.23 2 ↓

Analogs

43609316
43609316

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Popular Name: (2,5-dimethyl-3-furyl)-[(3S)-tetrahydrofuran-3-yl]methanone (2,5-dimethyl-3-furyl)-[(3S)-tet…

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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) 1.34 4.82 -6.85 0 3 0 39 194.23 2 ↓

Analogs

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Popular Name: 3-furyl-[(3R)-tetrahydrofuran-3-yl]methanone 3-furyl-[(3R)-tetrahydrofuran-3-…

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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) 0.89 3.13 -11.46 0 3 0 39 166.176 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-furyl-[(3S)-tetrahydrofuran-3-yl]methanone 3-furyl-[(3S)-tetrahydrofuran-3-…

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) 0.89 3.18 -10.24 0 3 0 39 166.176 2 ↓

Parameters Provided:

ring.id = 2585
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 = 2585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2585&filter.purchasability=annotated

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