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

Analogs

27133777
27133777
30372614
30372614

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Popular Name: N-(2-furylmethyl)-2,3-dihydrobenzofuran-5-amine N-(2-furylmethyl)-2,3-dihydroben…

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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) 2.48 5.07 -6.14 1 3 0 34 215.252 3 ↓

Analogs

30372614
30372614
27133777
27133777

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Popular Name: N-[(5-methyl-2-furyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(5-methyl-2-furyl)methyl]-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) 2.70 5.9 -6.32 1 3 0 34 229.279 3 ↓

Analogs

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Popular Name: N-[(5-bromo-2-furyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(5-bromo-2-furyl)methyl]-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) 3.41 5.81 -5.86 1 3 0 34 294.148 3 ↓

Analogs

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

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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) 3.04 5.78 -5.99 1 3 0 34 229.279 3 ↓

Analogs

27133777
27133777

Draw Identity 99% 90% 80% 70%

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

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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) 3.04 5.78 -5.98 1 3 0 34 229.279 3 ↓

Analogs

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

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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) 3.26 6.6 -6.08 1 3 0 34 243.306 3 ↓

Analogs

30372614
30372614
27133777
27133777

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 6.61 -6.14 1 3 0 34 243.306 3 ↓

Analogs

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Popular Name: N-[(5-nitro-2-furyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(5-nitro-2-furyl)methyl]-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) 2.56 5.78 -10.89 1 6 0 80 260.249 4 ↓

Analogs

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Popular Name: N-[[5-(difluoromethylsulfanylmethyl)-2-furyl]methyl]-2,3-dihydrobenzofuran-5-amine N-[[5-(difluoromethylsulfanylmet…

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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) 3.77 7.51 -7.63 1 3 0 34 311.353 6 ↓

Analogs

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Popular Name: N-[(5-iodo-2-furyl)methyl]-2,3-dihydrobenzofuran-5-amine N-[(5-iodo-2-furyl)methyl]-2,3-d…

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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) 3.68 6.28 -5.68 1 3 0 34 341.148 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.55 5.88 -9.14 1 5 0 61 273.288 5 ↓

Analogs

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Popular Name: N-[[5-(methylsulfanylmethyl)-2-furyl]methyl]-2,3-dihydrobenzofuran-5-amine N-[[5-(methylsulfanylmethyl)-2-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) 3.21 7.13 -7.5 1 3 0 34 275.373 5 ↓

Parameters Provided:

ring.id = 148841
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 = 148841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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