UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(3-methoxypropyl)-3-phenyl-furan-2-carboxamide N-(3-methoxypropyl)-3-phenyl-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) 2.37 5.06 -10.38 1 4 0 51 259.305 6 ↓

Analogs

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Popular Name: N-butyl-3-phenyl-furan-2-carboxamide N-butyl-3-phenyl-furan-2-carboxa…

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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) 3.55 6.78 -9.7 1 3 0 42 243.306 5 ↓

Analogs

32244965
32244965

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Popular Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-3-phenyl-furan-2-carboxamide N-[2-(tert-butylamino)-2-oxo-eth…

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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) 2.90 5 -11.94 2 5 0 71 300.358 5 ↓

Analogs

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Popular Name: N-[(1R)-1,4-dimethylpentyl]-3-phenyl-furan-2-carboxamide N-[(1R)-1,4-dimethylpentyl]-3-ph…

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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) 4.37 9.1 -8.59 1 3 0 42 285.387 6 ↓

Analogs

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Popular Name: N-[(1S)-1,4-dimethylpentyl]-3-phenyl-furan-2-carboxamide N-[(1S)-1,4-dimethylpentyl]-3-ph…

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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) 4.37 9.11 -8.59 1 3 0 42 285.387 6 ↓

Analogs

13013591
13013591
16537952
16537952
16538062
16538062
16538166
16538166
16538167
16538167

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Popular Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-methylbutyl]amino]-2…

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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) 3.62 9.37 -13.58 1 5 0 69 315.369 8 ↓

Analogs

16537952
16537952
16538062
16538062
16538166
16538166
16538167
16538167
21734449
21734449

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Popular Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-methylbutyl]amino]-2…

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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) 3.62 9.37 -13.57 1 5 0 69 315.369 8 ↓

Analogs

37993973
37993973
44615234
44615234
44615237
44615237
48325891
48325891
48325892
48325892

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Popular Name: (2S)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic (2S)-3-hydroxy-2-[(3-phenylfuran…

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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) -0.74 2.97 -60.01 2 6 -1 103 274.252 5 ↓

Analogs

37993973
37993973
48325891
48325891
48325892
48325892
23200206
23200206
12972249
12972249

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Popular Name: (2R)-3-hydroxy-2-[(3-phenylfuran-2-carbonyl)amino]propanoic (2R)-3-hydroxy-2-[(3-phenylfuran…

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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) -0.74 3.02 -61.56 2 6 -1 103 274.252 5 ↓

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) 3.22 8.36 -13.93 1 5 0 69 315.369 9 ↓

Analogs

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Popular Name: 2-[[4-(3-chlorophenyl)-2-furyl]methyl]propane-1,3-diol 2-[[4-(3-chlorophenyl)-2-furyl]m…

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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) 2.86 4.18 -9.53 2 3 0 54 266.724 5 ↓

Analogs

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Popular Name: 2-[(3-phenylfuran-2-carbonyl)amino]oxyacetic 2-[(3-phenylfuran-2-carbonyl)ami…

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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) 1.32 6.68 -55.37 1 6 -1 92 260.225 5 ↓

Analogs

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Popular Name: N-[2-(2-hydroxyethoxy)ethyl]-3-phenyl-furan-2-carboxamide N-[2-(2-hydroxyethoxy)ethyl]-3-p…

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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) 1.37 2.21 -12.79 2 5 0 72 275.304 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.18 5.18 -10.76 2 6 0 84 291.303 6 ↓

Analogs

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Popular Name: 5-[(3-phenylfuran-2-carbonyl)amino]pentanoic 5-[(3-phenylfuran-2-carbonyl)ami…

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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) 2.40 7.52 -52.06 1 5 -1 82 286.307 7 ↓
Lo Low (pH 4.5-6) 2.40 5.55 -14.82 2 5 0 80 287.315 7 ↓

Analogs

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Popular Name: (4S)-4-[(3-phenylfuran-2-carbonyl)amino]pentanoic (4S)-4-[(3-phenylfuran-2-carbony…

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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) 2.23 7.74 -48.85 1 5 -1 82 286.307 6 ↓
Lo Low (pH 4.5-6) 2.23 5.77 -11.65 2 5 0 80 287.315 6 ↓

Analogs

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Popular Name: (4R)-4-[(3-phenylfuran-2-carbonyl)amino]pentanoic (4R)-4-[(3-phenylfuran-2-carbony…

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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) 2.23 7.75 -49.22 1 5 -1 82 286.307 6 ↓
Lo Low (pH 4.5-6) 2.23 5.76 -11.64 2 5 0 80 287.315 6 ↓

Analogs

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Popular Name: 2-[(3-phenylfuran-2-carbonyl)-propyl-amino]acetic 2-[(3-phenylfuran-2-carbonyl)-pr…

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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) 1.57 9.48 -50.35 0 5 -1 74 286.307 6 ↓

Parameters Provided:

ring.id = 16315
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 = 16315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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