UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-N-ethyl-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-c N-[2-[(4-chlorophenyl)methylamin…

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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) 3.34 9.42 -22.57 1 6 0 80 402.878 6 ↓

Analogs

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Popular Name: 2-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-one 2-[4-(3-fluorophenyl)sulfonylpip…

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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) 2.22 6.97 -19.97 0 7 0 88 420.462 3 ↓

Analogs

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Popular Name: allyl allyl

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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 8.36 -33.12 2 8 0 111 471.56 9 ↓

Analogs

39851839
39851839

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Popular Name: N-(2-imidazol-1-ylphenyl)-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-(2-imidazol-1-ylphenyl)-3-meth…

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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 9.68 -13.88 1 6 0 77 335.363 3 ↓
Lo Low (pH 4.5-6) 2.23 10.48 -45.68 2 6 1 78 336.371 3 ↓

Analogs

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Popular Name: N-[[5-(2-furyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-benzofuran-3-carboxamide N-[[5-(2-furyl)-1,2,4-oxadiazol-…

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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) 0.89 3.49 -20.16 1 8 0 111 341.323 4 ↓

Analogs

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Popular Name: 3-[4-(3-morpholino-3-oxo-propyl)piperidine-1-carbonyl]-6,7-dihydro-5H-benzofuran-4-one 3-[4-(3-morpholino-3-oxo-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) 0.82 -0.61 -31.05 0 7 0 80 388.464 4 ↓

Analogs

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Popular Name: 3,6,6-trimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridyl]methyl]-4-oxo-5,7-dihydrobenzofuran-2-carbox 3,6,6-trimethyl-N-[[2-(2-methyli…

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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) 2.22 10.22 -17.71 1 7 0 90 392.459 4 ↓
Lo Low (pH 4.5-6) 2.22 10.68 -40.27 2 7 1 91 393.467 4 ↓

Analogs

11843227
11843227

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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) 2.75 4.21 -26.37 0 6 0 77 427.472 6 ↓

Analogs

11843226
11843226

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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) 2.75 3.85 -19.84 0 6 0 77 427.472 6 ↓

Analogs

11982076
11982076

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Popular Name: (5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)-4-piperidy (5S)-3-[(4-fluorophenyl)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) 1.75 0.34 -23.93 1 8 0 100 467.497 4 ↓

Analogs

11982072
11982072

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Popular Name: (5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)-4-piperidy (5R)-3-[(4-fluorophenyl)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) 1.75 0 -23.72 1 8 0 100 467.497 4 ↓

Analogs

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Popular Name: N-[[3-methyl-7-(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]meth N-[[3-methyl-7-(4-oxo6,7-dihydro…

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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) 1.60 -1.17 -29.93 1 7 0 93 489.597 5 ↓

Analogs

11996351
11996351

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Popular Name: N-[[(2R)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro- N-[[(2R)-5-(3,6-dimethylpyrazin-…

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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) 2.49 -0.47 -24.94 1 7 0 94 435.455 4 ↓

Analogs

11996350
11996350

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Popular Name: N-[[(2S)-5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro- N-[[(2S)-5-(3,6-dimethylpyrazin-…

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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) 2.49 -0.48 -25.05 1 7 0 94 435.455 4 ↓

Analogs

11996537
11996537

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Popular Name: N-[[(2R)-5-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofu N-[[(2R)-5-(6-methoxypyridazin-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) 2.52 -1.22 -27.43 1 8 0 104 419.437 5 ↓

Analogs

11996536
11996536

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Popular Name: N-[[(2S)-5-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofu N-[[(2S)-5-(6-methoxypyridazin-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) 2.52 -1.27 -27.69 1 8 0 104 419.437 5 ↓

Analogs

12005047
12005047

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Popular Name: (3R)-1-methyl-N-[3-[5-methyl-4-[[(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)amino]methyl]oxazol-2-yl (3R)-1-methyl-N-[3-[5-methyl-4-[…

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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 -1.77 -66.56 3 9 1 119 491.568 6 ↓

Analogs

12005041
12005041

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Popular Name: (3S)-1-methyl-N-[3-[5-methyl-4-[[(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)amino]methyl]oxazol-2-yl (3S)-1-methyl-N-[3-[5-methyl-4-[…

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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 -1.79 -69.36 3 9 1 119 491.568 6 ↓

Analogs

12022110
12022110

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Popular Name: N-[[(2S)-7-(5-acetyl-2-fluoro-phenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro- N-[[(2S)-7-(5-acetyl-2-fluoro-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) 4.15 1.94 -26.31 1 6 0 86 461.489 5 ↓

Analogs

12022101
12022101

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Popular Name: N-[[(2R)-7-(5-acetyl-2-fluoro-phenyl)-5-methyl-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro- N-[[(2R)-7-(5-acetyl-2-fluoro-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) 4.15 1.99 -24.55 1 6 0 86 461.489 5 ↓

Analogs

12023226
12023226

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Popular Name: 3-[(3R)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-6,7-dihydro-5H- 3-[(3R)-3-[5-methyl-2-(2-pyridyl…

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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) 2.76 -1.05 -25.2 0 7 0 89 462.575 5 ↓

Analogs

12023218
12023218

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Popular Name: 3-[(3S)-3-[5-methyl-2-(2-pyridylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]-6,7-dihydro-5H- 3-[(3S)-3-[5-methyl-2-(2-pyridyl…

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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) 2.76 -0.98 -25.7 0 7 0 89 462.575 5 ↓

Analogs

12023747
12023747

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Popular Name: N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofur N-[[(2R)-5-(4-methylsulfanylphen…

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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) 4.22 0.06 -23.04 1 5 0 69 433.529 5 ↓

Analogs

12023742
12023742

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Popular Name: N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-benzofur N-[[(2S)-5-(4-methylsulfanylphen…

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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) 4.22 0.01 -23.46 1 5 0 69 433.529 5 ↓

Analogs

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Popular Name: N-[[3-methyl-7-(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]meth N-[[3-methyl-7-(4-oxo6,7-dihydro…

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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) 1.10 -1.74 -28.39 1 9 0 111 487.512 4 ↓

Analogs

12029083
12029083

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Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-be N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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) 4.43 0.39 -24.47 1 7 0 87 481.932 6 ↓

Analogs

12029078
12029078

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Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-oxo-6,7-dihydro-5H-be N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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) 4.43 0.4 -24.14 1 7 0 87 481.932 6 ↓

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) 3.70 5.96 -22.71 1 7 0 89 348.399 4 ↓

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) 3.70 5.85 -22.3 1 7 0 89 348.399 4 ↓

Analogs

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Popular Name: N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-[[4-(dimethylsulfamoyl)phenyl]…

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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) 1.75 5.12 -19.47 1 7 0 97 390.461 5 ↓

Analogs

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Popular Name: 4-(2-naphthylmethyl)-1-(4-oxo6,7-dihydro-5H-benzofuran-3-carbonyl)-1,4-diazepan-5-one 4-(2-naphthylmethyl)-1-(4-oxo6,7…

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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) 2.19 1.11 -28.84 0 6 0 71 416.477 3 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)-2-(2,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-3-yl)ace N-(2-dimethylaminoethyl)-N-(3-py…

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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) 1.99 3.15 -57.29 1 6 1 68 398.527 7 ↓
Lo Low (pH 4.5-6) 1.99 3.26 -105.18 2 6 2 69 399.535 7 ↓

Analogs

39307677
39307677
39307682
39307682
39307684
39307684
39307687
39307687
39307689
39307689

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Popular Name: N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidyl]methyl]-N-methyl-4-oxo-6,7-dihydro-5H-benzofuran-3-carbo N-[[1-[2-(4-fluorophenyl)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) 2.89 3.2 -49.16 1 5 1 55 413.513 6 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-N-[(4-fluorophenyl)methyl]-2-(2,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-3 N-(2-dimethylaminoethyl)-N-[(4-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) 3.39 4.65 -56.16 1 5 1 55 415.529 7 ↓

Analogs

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Popular Name: N-[(2-hydroxyphenyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-[(2-hydroxyphenyl)methyl]-N,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) 2.62 6.64 -15.53 1 5 0 71 313.353 3 ↓

Analogs

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Popular Name: N-[(2-hydroxyphenyl)methyl]-N,3,6,6-tetramethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide N-[(2-hydroxyphenyl)methyl]-N,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) 3.51 7.6 -14.61 1 5 0 71 341.407 3 ↓

Analogs

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Popular Name: N-[4-(4,5-dimethyloxazol-2-yl)phenyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-[4-(4,5-dimethyloxazol-2-yl)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) 3.38 6.89 -18.5 1 6 0 85 364.401 3 ↓

Analogs

33832273
33832273

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Popular Name: Zedoarone Zedoarone

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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) 3.88 7.46 -8.12 0 2 0 30 230.307 2 ↓

Analogs

33832273
33832273

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Popular Name: Zedoarone Zedoarone

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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) 3.88 7.51 -8.39 0 2 0 30 230.307 2 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carbonyl)-2-piperidyl]methyl]methanesulfonami N-[[(2R)-1-(3-methyl-4-oxo-6,7-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) 1.34 5.09 -22.72 1 7 0 97 368.455 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carbonyl)-2-piperidyl]methyl]methanesulfonami N-[[(2S)-1-(3-methyl-4-oxo-6,7-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) 1.34 4.47 -17.61 1 7 0 97 368.455 4 ↓

Analogs

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Popular Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxam N-[2-(3,4-dihydro-2H-quinolin-1-…

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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) 2.60 8.03 -16.06 1 6 0 80 366.417 3 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-6,7-dihydro-5H-benzofuran-2-carboxamide 3-methyl-4-oxo-N-[(5-phenyl-1,2,…

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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) 2.21 5.51 -14.97 1 7 0 98 351.362 4 ↓

Analogs

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Popular Name: 3-methyl-4-oxo-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]-6,7-dihydro-5H-benzofuran-2-carboxamide 3-methyl-4-oxo-N-[5-(2-pyridyl)-…

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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) 1.48 7.73 -19.02 2 8 0 114 337.339 3 ↓
Mid Mid (pH 6-8) 1.55 6.16 -62 1 8 -1 120 336.331 3 ↓

Analogs

39851805
39851805
39851816
39851816
39851851
39851851

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Popular Name: N-(3-hydroxy-2-pyridyl)-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-(3-hydroxy-2-pyridyl)-3-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) 1.57 4.78 -23.72 2 6 0 97 286.287 2 ↓
Mid Mid (pH 6-8) 1.57 3.96 -18.24 2 6 0 92 286.287 2 ↓
Mid Mid (pH 6-8) 1.57 4.72 -50.3 1 6 -1 95 285.279 2 ↓

Analogs

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Popular Name: 2,6,6-trimethyl-6,7-dihydro-1-benzofuran-4(5H)-one 2,6,6-trimethyl-6,7-dihydro-1-be…

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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) 2.34 6.07 -8.77 0 2 0 30 178.231 0 ↓

Analogs

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Popular Name: 3,6,6-trimethyl-4-oxo-N-[2-(pyrazin-2-ylamino)ethyl]-5,7-dihydrobenzofuran-2-carboxamide 3,6,6-trimethyl-4-oxo-N-[2-(pyra…

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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) 1.82 4.25 -16.5 2 7 0 97 342.399 5 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-3-methyl-4-oxo-N-phenyl-6,7-dihydro-5H-benzofuran-2-carboxamide N-(2-dimethylaminoethyl)-3-methy…

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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) 3.01 10.43 -59.56 1 5 1 55 341.431 5 ↓

Analogs

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Popular Name: N-(2-isopropylpyrazol-3-yl)-3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carboxamide N-(2-isopropylpyrazol-3-yl)-3-me…

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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) 2.04 7.27 -15.28 1 6 0 77 301.346 3 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-3-methyl-4-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-6,7-dihydro-5H-benzofu N-(2-dimethylaminoethyl)-3-methy…

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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) 1.68 8.91 -54.84 1 6 1 64 349.451 6 ↓

Parameters Provided:

ring.id = 7146
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 = 7146 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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