UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate ethyl 2-[(3,4-dimethoxybenzoyl)a…

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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) 3.37 0.36 -12.46 1 7 0 83 419.499 7 ↓

Analogs

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Popular Name: 5,5-dimethyl-2-[[2-(4-nitrophenyl)acetyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic-acid-ethy 5,5-dimethyl-2-[[2-(4-nitropheny…

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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 0.52 -16.67 1 8 0 110 418.471 7 ↓

Analogs

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Popular Name: BRD-K68368258-001-01-2 BRD-K68368258-001-01-2

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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) 4.74 11.31 -8.38 1 4 0 62 402.519 4 ↓

Analogs

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Popular Name: 2-(benzoylthiocarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic-acid-ethyl-est 2-(benzoylthiocarbamoylamino)-5,…

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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) 3.91 -0.57 -15.36 2 6 0 76 418.54 7 ↓

Analogs

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Popular Name: CID 1067700 CID 1067700

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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) 3.28 9.19 -51.97 2 6 -1 90 389.478 5 ↓
Hi High (pH 8-9.5) 3.32 9 -121.36 1 6 -2 91 388.47 4 ↓

Analogs

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Popular Name: 2-benzyl-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-phenyl-propionamide 2-benzyl-N-(3-cyano-5,5-dimethyl…

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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) 5.53 1.37 -7.11 1 4 0 62 430.573 6 ↓

Analogs

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Popular Name: 2-[(3aR,7aS)-5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-cyano-5,5-dimethyl-4,7-dihy 2-[(3aR,7aS)-5-chloro-1,3-diketo…

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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) 2.45 7.77 -14.52 1 7 0 100 433.917 3 ↓
Ref Reference (pH 7) 2.45 7.76 -13.49 1 7 0 100 433.917 3 ↓
Ref Reference (pH 7) 2.45 7.73 -12.5 1 7 0 100 433.917 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) 2.39 -1.04 -14.89 1 9 0 101 447.513 4 ↓

Analogs

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Popular Name: N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)benzamide N-(3-cyano-5,5-dimethyl-4,7-dihy…

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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) 3.27 7.32 -8.08 1 4 0 62 312.394 2 ↓

Analogs

1821075
1821075

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Popular Name: 8-(ethoxymethyleneamino)-3-isopropyl-4-oxa-7-thiabicyclo[4.3.0]nona-8,10-diene-9-carbonitrile 8-(ethoxymethyleneamino)-3-isopr…

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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 4.81 -11.17 0 4 0 55 278.377 4 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyra 2-[(7R)-5,7-dihydro-4H-thieno[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) 0.92 8.52 -14.33 0 6 0 60 332.429 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyra 2-[(7S)-5,7-dihydro-4H-thieno[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) 0.92 8.52 -14.73 0 6 0 60 332.429 3 ↓

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-acetamide N-[(2,4-difluorophenyl)methyl]-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) 3.02 9.43 -13.41 0 3 0 30 337.391 4 ↓

Analogs

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Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methyl-acetamide N-[(2,4-difluorophenyl)methyl]-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) 3.02 9.43 -13.22 0 3 0 30 337.391 4 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-(2-methoxyethyl)-N-(2-pyridylmethyl)acetamide 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.58 7.95 -9.96 0 5 0 52 346.452 7 ↓
Lo Low (pH 4.5-6) 1.58 8.42 -33.4 1 5 1 53 347.46 7 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-(2-methoxyethyl)-N-(2-pyridylmethyl)acetamide 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.58 7.95 -10.06 0 5 0 52 346.452 7 ↓
Lo Low (pH 4.5-6) 1.58 8.42 -34.68 1 5 1 53 347.46 7 ↓

Analogs

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Popular Name: 2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c] 2-[[2-[3-(trifluoromethyl)-4,5,6…

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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 3.67 -17.45 3 7 0 99 428.436 5 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]ethanone 2-[(7R)-5,7-dihydro-4H-thieno[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) 2.94 9.58 -10.59 0 3 0 30 333.478 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]ethanone 2-[(7R)-5,7-dihydro-4H-thieno[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) 2.94 9.58 -10.71 0 3 0 30 333.478 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[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) 2.94 9.58 -10.7 0 3 0 30 333.478 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[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) 2.94 9.58 -10.59 0 3 0 30 333.478 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[2-(dimethylamino)-3-pyridyl]acetamide 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.98 7.09 -10.39 1 5 0 54 317.414 4 ↓
Mid Mid (pH 6-8) 1.98 7.6 -32.15 2 5 1 56 318.422 4 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[2-(dimethylamino)-3-pyridyl]acetamide 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.98 7.09 -10.22 1 5 0 54 317.414 4 ↓
Mid Mid (pH 6-8) 1.98 7.6 -32.15 2 5 1 56 318.422 4 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]ethan 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.44 4.82 -9.47 1 5 0 53 338.473 4 ↓
Lo Low (pH 4.5-6) 1.44 6.58 -44.57 2 5 1 54 339.481 4 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]ethan 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.44 4.82 -9.3 1 5 0 53 338.473 4 ↓
Lo Low (pH 4.5-6) 1.44 6.58 -45.3 2 5 1 54 339.481 4 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-imidazol-1-yl-1-piperidyl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.44 10.25 -36.8 1 5 1 49 332.449 3 ↓
Mid Mid (pH 6-8) 1.44 9.54 -13.71 0 5 0 47 331.441 3 ↓

Analogs

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Popular Name: 3-[[[2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]-methyl-amino]methyl]benzamide 3-[[[2-[(7R)-5,7-dihydro-4H-thie…

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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) 1.56 6.18 -21.46 2 5 0 73 344.436 5 ↓

Analogs

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Popular Name: 3-[[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]-methyl-amino]methyl]benzamide 3-[[[2-[(7S)-5,7-dihydro-4H-thie…

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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) 1.56 6.18 -21.33 2 5 0 73 344.436 5 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -34.27 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.22 0 5 0 47 345.468 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -33.93 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.15 0 5 0 47 345.468 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3R)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -34 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.09 0 5 0 47 345.468 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)-1-piperidyl]ethano 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.53 10.02 -34.29 1 5 1 49 346.476 3 ↓
Mid Mid (pH 6-8) 1.53 9.54 -14.3 0 5 0 47 345.468 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a] 2-[(7R)-5,7-dihydro-4H-thieno[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) 1.40 8.96 -13.97 0 6 0 60 346.456 3 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-isopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a] 2-[(7S)-5,7-dihydro-4H-thieno[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) 1.40 8.96 -14.37 0 6 0 60 346.456 3 ↓

Analogs

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Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyr 2-[(7R)-5,7-dihydro-4H-thieno[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) 0.34 7.91 -14.68 0 6 0 60 318.402 2 ↓

Analogs

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Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyr 2-[(7S)-5,7-dihydro-4H-thieno[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) 0.34 7.91 -15.1 0 6 0 60 318.402 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)-1-piperidyl]ethanone 2-[(7R)-5,7-dihydro-4H-thieno[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) 2.34 9.01 -9.62 0 5 0 47 345.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)-1-piperidyl]ethanone 2-[(7R)-5,7-dihydro-4H-thieno[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) 2.34 9.04 -9.24 0 5 0 47 345.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2S)-2-(pyrazol-1-ylmethyl)-1-piperidyl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[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) 2.34 9.01 -10.1 0 5 0 47 345.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-1-[(2R)-2-(pyrazol-1-ylmethyl)-1-piperidyl]ethanone 2-[(7S)-5,7-dihydro-4H-thieno[2,…

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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) 2.34 9.04 -9.64 0 5 0 47 345.468 4 ↓

Parameters Provided:

ring.id = 1222
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 = 1222 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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