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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31343408
31343408

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-pyridylmethyl)-2,3-dihydrobenzofuran-5-amine N-(3-pyridylmethyl)-2,3-dihydrob…

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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) 1.98 5.15 -6.84 1 3 0 34 226.279 3 ↓
Lo Low (pH 4.5-6) 1.98 5.62 -38.65 2 3 1 35 227.287 3 ↓

Analogs

31343408
31343408

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(3-pyridyl)ethyl]-2,3-…

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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) 2.54 5.88 -7.06 1 3 0 34 240.306 3 ↓
Lo Low (pH 4.5-6) 2.54 6.37 -38.94 2 3 1 35 241.314 3 ↓

Analogs

31343408
31343408

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-pyridyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(3-pyridyl)ethyl]-2,3-…

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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) 2.54 5.88 -7.01 1 3 0 34 240.306 3 ↓
Lo Low (pH 4.5-6) 2.54 6.36 -39.01 2 3 1 35 241.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1R)-1-(2,4,6-trimethyl-3-pyr…

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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) 3.75 8.08 -32.31 2 3 1 35 283.395 3 ↓
Mid Mid (pH 6-8) 3.75 7.7 -7.26 1 3 0 34 282.387 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4,6-trimethyl-3-pyridyl)ethyl]-2,3-dihydrobenzofuran-5-amine N-[(1S)-1-(2,4,6-trimethyl-3-pyr…

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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) 3.75 8.12 -32.28 2 3 1 35 283.395 3 ↓
Mid Mid (pH 6-8) 3.75 7.74 -7.4 1 3 0 34 282.387 3 ↓

Parameters Provided:

ring.id = 148839
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 = 148839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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