UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-furyl)propyl 3-(2-furyl)propyl

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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) 2.29 6.93 -12.1 2 5 0 63 280.349 6 ↓
Hi High (pH 8-9.5) 1.53 5.86 -35.41 1 5 -1 70 279.341 5 ↓

Analogs

35017073
35017073

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Popular Name: 3-(5-ethyl-2-furyl)propyl 3-(5-ethyl-2-furyl)propyl

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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) 2.44 6.05 -12.38 3 6 0 84 338.429 8 ↓
Mid Mid (pH 6-8) 1.68 4.93 -36.63 2 6 -1 90 337.421 7 ↓

Analogs

35017071
35017071

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Popular Name: 3-(5-ethyl-2-furyl)propyl 3-(5-ethyl-2-furyl)propyl

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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) 2.44 6.01 -12.64 3 6 0 84 338.429 8 ↓
Mid Mid (pH 6-8) 1.68 4.94 -36.9 2 6 -1 90 337.421 7 ↓

Parameters Provided:

ring.id = 14750
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 = 14750 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=14750&filter.purchasability=annotated

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