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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

4066590
4066590
4066592
4066592

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Popular Name: (4S)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic-acid-ethyl-est (4S)-4-(2,5-dimethoxyphenyl)-6-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) 2.95 6.98 -14.45 2 6 0 69 336.413 6 ↓

Analogs

4066590
4066590
4066592
4066592

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Popular Name: (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic-acid-ethyl-est (4R)-4-(2,5-dimethoxyphenyl)-6-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) 2.95 6.35 -13 2 6 0 69 336.413 6 ↓

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) 3.31 8.69 -12.51 2 6 0 69 364.467 7 ↓
Hi High (pH 8-9.5) 2.55 7.63 -36.85 1 6 -1 75 363.459 6 ↓

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) 3.37 9.42 -20.84 3 7 0 89 411.483 7 ↓

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) 3.31 8.7 -12.48 2 6 0 69 364.467 7 ↓
Hi High (pH 8-9.5) 2.55 7.63 -36.84 1 6 -1 75 363.459 6 ↓

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) 3.37 9.31 -20.85 3 7 0 89 411.483 7 ↓

Analogs

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Popular Name: [4-methyl-6-(3-methyl-2-thienyl)-2-thioxo-3,6-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone [4-methyl-6-(3-methyl-2-thienyl)…

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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) 4.10 -2.48 -12.48 2 3 0 41 328.462 3 ↓

Analogs

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Popular Name: [4-methyl-6-(3-methyl-2-thienyl)-2-thioxo-3,6-dihydro-1H-pyrimidin-5-yl]-phenyl-methanone [4-methyl-6-(3-methyl-2-thienyl)…

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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) 4.10 -2.48 -12.41 2 3 0 41 328.462 3 ↓

Analogs

16609096
16609096
16609098
16609098
16609136
16609136
16609138
16609138
16609144
16609144

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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) 5.06 0.64 -10.06 1 5 0 44 423.582 8 ↓

Analogs

16609096
16609096
16609098
16609098
16609136
16609136
16609138
16609138
16609144
16609144

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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) 5.06 0.52 -10.21 1 5 0 44 423.582 8 ↓

Analogs

35016589
35016589
35016591
35016591
35016609
35016609

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Popular Name: 4-methoxybut-2-ynyl 4-methoxybut-2-ynyl

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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 4.77 -12.08 2 5 0 60 254.311 4 ↓
Hi High (pH 8-9.5) 0.78 3.69 -35.61 1 5 -1 66 253.303 3 ↓

Analogs

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Popular Name: (2,6-dimethylthieno[3,2-d]thiazol-5-yl)methyl (2,6-dimethylthieno[3,2-d]thiazo…

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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) 3.07 7.32 -14.27 2 5 0 63 353.494 4 ↓
Hi High (pH 8-9.5) 2.32 6.26 -36.98 1 5 -1 70 352.486 3 ↓

Analogs

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Popular Name: (5-methylsulfanyl-2-thienyl)methyl (5-methylsulfanyl-2-thienyl)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) 3.17 7.58 -10.7 2 4 0 50 314.457 5 ↓
Hi High (pH 8-9.5) 2.42 6.49 -33.78 1 4 -1 57 313.449 4 ↓

Analogs

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Popular Name: [5-(2-thienyl)-2-thienyl]methyl [5-(2-thienyl)-2-thienyl]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) 4.15 9.3 -11.5 2 4 0 50 350.49 5 ↓
Hi High (pH 8-9.5) 3.40 8.21 -34.83 1 4 -1 57 349.482 4 ↓

Analogs

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Popular Name: benzothiophen-2-ylmethyl benzothiophen-2-ylmethyl

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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 8.78 -11.91 2 4 0 50 318.423 4 ↓
Hi High (pH 8-9.5) 3.00 7.7 -35.95 1 4 -1 57 317.415 3 ↓

Analogs

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Popular Name: (3-pyrrol-1-yl-2-thienyl)methyl (3-pyrrol-1-yl-2-thienyl)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) 3.06 9.24 -12.14 2 5 0 55 333.438 5 ↓
Hi High (pH 8-9.5) 2.31 8.16 -37.19 1 5 -1 62 332.43 4 ↓

Analogs

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Popular Name: [5-(2-methylthiazol-5-yl)-2-thienyl]methyl [5-(2-methylthiazol-5-yl)-2-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) 3.14 8.22 -13.38 2 5 0 63 365.505 5 ↓
Hi High (pH 8-9.5) 2.38 7.16 -36.33 1 5 -1 70 364.497 4 ↓

Analogs

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Popular Name: [5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]methyl [5-[1-methyl-5-(trifluoromethyl)…

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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) 3.83 8.72 -12.85 2 6 0 68 416.45 6 ↓
Hi High (pH 8-9.5) 3.08 7.64 -35.32 1 6 -1 75 415.442 5 ↓

Analogs

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Popular Name: (1,3-dimethylthieno[2,3-c]pyrazol-5-yl)methyl (1,3-dimethylthieno[2,3-c]pyrazo…

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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) 2.53 7.09 -14.35 2 6 0 68 336.442 4 ↓
Hi High (pH 8-9.5) 1.77 6.01 -36.37 1 6 -1 75 335.434 3 ↓

Analogs

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Popular Name: 2-(1,3-benzothiazol-2-ylsulfanyl)ethyl 2-(1,3-benzothiazol-2-ylsulfanyl…

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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) 3.73 8.14 -14.39 2 5 0 63 365.505 6 ↓
Hi High (pH 8-9.5) 2.98 7.07 -37.48 1 5 -1 70 364.497 5 ↓

Analogs

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Popular Name: benzotriazol-1-ylmethyl benzotriazol-1-ylmethyl

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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 4.56 -15.8 2 7 0 81 303.347 4 ↓
Hi High (pH 8-9.5) 1.23 3.48 -37.58 1 7 -1 87 302.339 3 ↓

Analogs

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Popular Name: 1,3-benzothiazol-2-ylmethyl 1,3-benzothiazol-2-ylmethyl

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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) 2.71 6.77 -14.1 2 5 0 63 319.411 4 ↓
Hi High (pH 8-9.5) 1.96 5.69 -38.5 1 5 -1 70 318.403 3 ↓

Analogs

35016218
35016218
35016269
35016269

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Popular Name: [4-[(4-methoxyphenyl)methoxy]phenyl]methyl [4-[(4-methoxyphenyl)methoxy]phe…

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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) 4.26 9.84 -13.82 2 6 0 69 398.484 8 ↓
Hi High (pH 8-9.5) 3.51 8.76 -37.04 1 6 -1 75 397.476 7 ↓

Analogs

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Popular Name: (4-tert-butoxycarbonyloxyphenyl)methyl (4-tert-butoxycarbonyloxyphenyl)…

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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) 3.64 10.25 -13.61 2 7 0 86 378.45 8 ↓
Hi High (pH 8-9.5) 2.89 9.17 -36.6 1 7 -1 92 377.442 7 ↓

Analogs

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Popular Name: (4-hydroxyphenyl)methyl (4-hydroxyphenyl)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) 2.07 4.41 -12 3 5 0 71 278.333 4 ↓
Hi High (pH 8-9.5) 1.32 3.33 -35.1 2 5 -1 77 277.325 3 ↓

Analogs

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Popular Name: [1-(p-tolylsulfonyl)pyrrol-3-yl]methyl [1-(p-tolylsulfonyl)pyrrol-3-yl]…

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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) 2.82 8.09 -16.56 2 7 0 89 405.501 6 ↓
Hi High (pH 8-9.5) 2.06 7.03 -39.68 1 7 -1 96 404.493 5 ↓

Analogs

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Popular Name: o-tolylmethyl o-tolylmethyl

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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) 2.95 7.85 -10.5 2 4 0 50 276.361 4 ↓
Hi High (pH 8-9.5) 2.20 6.79 -34.59 1 4 -1 57 275.353 3 ↓

Analogs

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Popular Name: (5-methyl-2-thienyl)methyl (5-methyl-2-thienyl)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) 2.67 7.17 -10.46 2 4 0 50 282.39 4 ↓
Hi High (pH 8-9.5) 1.92 6.1 -34.62 1 4 -1 57 281.382 3 ↓

Analogs

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Popular Name: (5-chloro-2-thienyl)methyl (5-chloro-2-thienyl)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) 3.25 6.98 -10.11 2 4 0 50 302.808 4 ↓
Hi High (pH 8-9.5) 2.50 5.9 -32.34 1 4 -1 57 301.8 3 ↓

Analogs

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Popular Name: thieno[2,3-b]thiophen-2-ylmethyl thieno[2,3-b]thiophen-2-ylmethyl

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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) 3.52 7.81 -11.77 2 4 0 50 324.452 4 ↓
Hi High (pH 8-9.5) 2.76 6.72 -34.92 1 4 -1 57 323.444 3 ↓

Analogs

35016591
35016591
35016609
35016609
35016545
35016545

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethoxybut-2-ynyl 4-ethoxybut-2-ynyl

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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) 1.91 5.73 -11.93 2 5 0 60 268.338 5 ↓
Hi High (pH 8-9.5) 1.16 4.66 -35.26 1 5 -1 66 267.33 4 ↓

Analogs

35016609
35016609
35016545
35016545
35016589
35016589

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propoxybut-2-ynyl 4-propoxybut-2-ynyl

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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) 2.41 6.53 -11.7 2 5 0 60 282.365 6 ↓
Hi High (pH 8-9.5) 1.66 5.46 -35.18 1 5 -1 66 281.357 5 ↓

Analogs

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Popular Name: 1,3-benzoxazol-2-ylmethyl 1,3-benzoxazol-2-ylmethyl

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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) 2.58 4.24 -14.66 2 6 0 76 303.343 4 ↓
Hi High (pH 8-9.5) 1.83 3.16 -38.37 1 6 -1 83 302.335 3 ↓

Analogs

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Popular Name: 3-(2-thienyl)prop-2-ynyl 3-(2-thienyl)prop-2-ynyl

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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) 2.68 7.84 -12.03 2 4 0 50 292.385 3 ↓
Hi High (pH 8-9.5) 1.93 6.76 -35.29 1 4 -1 57 291.377 2 ↓

Analogs

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Popular Name: 3-(3-thienyl)prop-2-ynyl 3-(3-thienyl)prop-2-ynyl

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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 7.67 -11.59 2 4 0 50 292.385 3 ↓
Hi High (pH 8-9.5) 1.62 6.59 -34.71 1 4 -1 57 291.377 2 ↓

Analogs

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Popular Name: (1-methylbenzimidazol-2-yl)methyl (1-methylbenzimidazol-2-yl)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) 2.21 7.66 -15.96 2 6 0 68 316.386 4 ↓
Hi High (pH 8-9.5) 1.46 6.58 -39.18 1 6 -1 75 315.378 3 ↓
Lo Low (pH 4.5-6) 2.21 8.28 -39.26 3 6 1 69 317.394 4 ↓

Analogs

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Popular Name: (3-methylbenzotriazol-5-yl)methyl (3-methylbenzotriazol-5-yl)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) 1.94 5.7 -16.92 2 7 0 81 317.374 4 ↓
Hi High (pH 8-9.5) 1.19 4.62 -36.98 1 7 -1 87 316.366 3 ↓

Analogs

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Popular Name: 3-(3-thienyl)propyl 3-(3-thienyl)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) 2.86 7.73 -10.91 2 4 0 50 296.417 6 ↓
Hi High (pH 8-9.5) 2.11 6.66 -34.26 1 4 -1 57 295.409 5 ↓

Analogs

35016607
35016607

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Popular Name: [(Z)-3-(3-thienyl)allyl] [(Z)-3-(3-thienyl)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) 2.71 7.36 -10.92 2 4 0 50 294.401 5 ↓
Hi High (pH 8-9.5) 1.96 6.28 -35.19 1 4 -1 57 293.393 4 ↓

Analogs

35016605
35016605

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Popular Name: [(E)-3-(3-thienyl)allyl] [(E)-3-(3-thienyl)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) 2.71 7.51 -11.02 2 4 0 50 294.401 5 ↓
Hi High (pH 8-9.5) 1.96 6.43 -34.42 1 4 -1 57 293.393 4 ↓

Analogs

35016545
35016545
35016589
35016589
35016591
35016591

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Popular Name: 4-allyloxybut-2-ynyl 4-allyloxybut-2-ynyl

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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 6.32 -12.22 2 5 0 60 280.349 6 ↓
Hi High (pH 8-9.5) 1.43 5.24 -35.86 1 5 -1 66 279.341 5 ↓

Analogs

35016613
35016613

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Popular Name: 4-[(1S)-1-methylprop-2-ynoxy]but-2-ynyl 4-[(1S)-1-methylprop-2-ynoxy]but…

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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) 2.06 6.99 -13.94 2 5 0 60 292.36 5 ↓
Hi High (pH 8-9.5) 1.31 5.91 -37.75 1 5 -1 66 291.352 4 ↓

Analogs

35016611
35016611

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Popular Name: 4-[(1R)-1-methylprop-2-ynoxy]but-2-ynyl 4-[(1R)-1-methylprop-2-ynoxy]but…

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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) 2.06 6.99 -13.96 2 5 0 60 292.36 5 ↓
Hi High (pH 8-9.5) 1.31 5.91 -37.74 1 5 -1 66 291.352 4 ↓

Analogs

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Popular Name: 2-(2-bromo-3-thienyl)ethyl 2-(2-bromo-3-thienyl)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) 3.28 7.62 -11.3 2 4 0 50 361.286 5 ↓
Hi High (pH 8-9.5) 2.53 6.54 -35.12 1 4 -1 57 360.278 4 ↓

Analogs

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Popular Name: 1,3-benzothiazol-6-ylmethyl 1,3-benzothiazol-6-ylmethyl

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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 6.7 -14.21 2 5 0 63 319.411 4 ↓
Hi High (pH 8-9.5) 2.21 5.62 -36.6 1 5 -1 70 318.403 3 ↓

Analogs

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Popular Name: 2-(2-fluoro-3-thienyl)ethyl 2-(2-fluoro-3-thienyl)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) 2.63 7.08 -12 2 4 0 50 300.38 5 ↓
Hi High (pH 8-9.5) 1.88 6 -36.16 1 4 -1 57 299.372 4 ↓

Analogs

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Popular Name: 3-(2-furyl)propyl 3-(2-furyl)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) 2.29 6.93 -12.1 2 5 0 63 280.349 6 ↓
Hi High (pH 8-9.5) 1.53 5.86 -35.41 1 5 -1 70 279.341 5 ↓

Analogs

35016625
35016625

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Popular Name: [(Z)-3-(2-furyl)allyl] [(Z)-3-(2-furyl)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) 2.38 6.77 -12.49 2 5 0 63 278.333 5 ↓
Hi High (pH 8-9.5) 1.63 5.68 -37.51 1 5 -1 70 277.325 4 ↓

Analogs

35016623
35016623

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Popular Name: [(E)-3-(2-furyl)allyl] [(E)-3-(2-furyl)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) 2.38 6.76 -12.11 2 5 0 63 278.333 5 ↓
Hi High (pH 8-9.5) 1.63 5.68 -35.73 1 5 -1 70 277.325 4 ↓

Analogs

35016632
35016632

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Popular Name: 3-thienylmethyl 3-thienylmethyl

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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) 2.42 7.12 -10.22 2 4 0 50 300.38 5 ↓
Mid Mid (pH 6-8) 1.67 6.02 -32.75 1 4 -1 57 299.372 4 ↓

Parameters Provided:

ring.id = 1314
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 = 1314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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