UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[(6-nitroindol-1-yl)methyl]furan-2-carboxylic 3-[(6-nitroindol-1-yl)methyl]fur…

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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) 2.52 9.49 -43.96 0 7 -1 104 285.235 4 ↓

Analogs

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Popular Name: 3-[(3-methylindol-1-yl)methyl]furan-2-carboxylic 3-[(3-methylindol-1-yl)methyl]fu…

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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) 2.96 9.46 -50.19 0 4 -1 58 254.265 3 ↓

Analogs

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Popular Name: 3-(indol-1-ylmethyl)furan-2-carboxylic 3-(indol-1-ylmethyl)furan-2-carb…

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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) 2.58 8.78 -49.26 0 4 -1 58 240.238 3 ↓

Analogs

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Popular Name: 3-[(7-ethylindol-1-yl)methyl]furan-2-carboxylic 3-[(7-ethylindol-1-yl)methyl]fur…

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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) 3.45 9.58 -51.41 0 4 -1 58 268.292 4 ↓

Analogs

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Popular Name: 3-[(5-methoxyindol-1-yl)methyl]furan-2-carboxylic 3-[(5-methoxyindol-1-yl)methyl]f…

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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) 2.61 8.07 -49.72 0 5 -1 67 270.264 4 ↓

Analogs

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Popular Name: 3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic 3-[(5-nitroindol-1-yl)methyl]fur…

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) 2.52 9.48 -45.7 0 7 -1 104 285.235 4 ↓

Parameters Provided:

ring.id = 549447
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 = 549447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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