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

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Popular Name: 1-[4-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1R)-1-(2,5-dimethyl-3-th…

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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) 1.87 7.56 -48.92 2 3 1 37 281.445 3 ↓
Hi High (pH 8-9.5) 1.87 6.67 -9.32 1 3 0 32 280.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-1-piperidyl]ethanone 1-[4-[[(1S)-1-(2,5-dimethyl-3-th…

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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) 1.87 7.59 -49.02 2 3 1 37 281.445 3 ↓
Hi High (pH 8-9.5) 1.87 6.6 -9 1 3 0 32 280.437 3 ↓

Analogs

37786344
37786344

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Popular Name: N-methyl-N-(3-thienylmethyl)piperidin-4-amine N-methyl-N-(3-thienylmethyl)pipe…

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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) 1.15 3.73 -39.64 2 2 1 20 211.354 3 ↓

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) 2.89 6.91 -53.88 2 4 1 46 348.286 5 ↓
Hi High (pH 8-9.5) 2.89 5.71 -7.3 1 4 0 42 347.278 5 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-2,2,6,6-tetramethyl-piperidin-4-amine N-[(5-bromo-3-thienyl)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) 3.81 6 -33.74 3 2 1 29 332.331 3 ↓
Mid Mid (pH 6-8) 3.81 7.2 -108.43 4 2 2 33 333.339 3 ↓

Analogs

37997652
37997652
37997653
37997653

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-1-methyl-piperidin-4-amine N-[(5-bromo-3-thienyl)methyl]-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) 2.44 5.95 -35.08 2 2 1 16 290.25 3 ↓
Lo Low (pH 4.5-6) 2.44 7.14 -108.84 3 2 2 21 291.258 3 ↓
Lo Low (pH 4.5-6) 2.44 4.76 -42.73 2 2 1 20 290.25 3 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.10 7.87 -46.34 2 4 1 46 311.471 5 ↓
Hi High (pH 8-9.5) 3.10 6.85 -5.74 1 4 0 42 310.463 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.10 7.87 -46.38 2 4 1 46 311.471 5 ↓
Hi High (pH 8-9.5) 3.10 6.9 -7.08 1 4 0 42 310.463 5 ↓

Analogs

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Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[(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) 2.87 7.42 -32.93 2 2 1 16 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 8.24 -101.37 3 2 2 21 254.443 3 ↓
Mid Mid (pH 6-8) 2.87 6.28 -36.7 2 2 1 20 253.435 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S,5R)-1,2,5-trimethyl-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine (2S,4S,5R)-1,2,5-trimethyl-N-[(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) 2.87 7.71 -31.32 2 2 1 16 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 6.04 -34.53 2 2 1 20 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 8.35 -102.62 3 2 2 21 254.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R,5R)-1,2,5-trimethyl-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine (2R,4R,5R)-1,2,5-trimethyl-N-[(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) 2.87 7.02 -34.7 2 2 1 16 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 5.52 -36.16 2 2 1 20 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 7.81 -99.43 3 2 2 21 254.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R,5R)-1,2,5-trimethyl-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine (2S,4R,5R)-1,2,5-trimethyl-N-[(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) 2.87 7.34 -34.14 2 2 1 16 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 5.81 -36.25 2 2 1 20 253.435 3 ↓
Mid Mid (pH 6-8) 2.87 8.12 -98.87 3 2 2 21 254.443 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[[(1S)-1-(3-thienyl)ethyl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(1S)-1-(3-th…

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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) 0.97 5.13 -42.46 2 4 1 40 296.46 5 ↓
Hi High (pH 8-9.5) 0.97 4.12 -8.44 1 4 0 36 295.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[[(1R)-1-(3-thienyl)ethyl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(1R)-1-(3-th…

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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) 0.97 5.13 -42.49 2 4 1 40 296.46 5 ↓
Hi High (pH 8-9.5) 0.97 4.17 -9.15 1 4 0 36 295.452 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-prop-2-ynyl-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[(1S)-1-(3-thien…

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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 5.96 -39.59 2 2 1 20 249.403 4 ↓
Hi High (pH 8-9.5) 2.22 4.94 -2.88 1 2 0 15 248.395 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-prop-2-ynyl-N-[(1R)-1-(3-thienyl)ethyl]piperidin-4-amine 1-prop-2-ynyl-N-[(1R)-1-(3-thien…

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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 5.96 -39.57 2 2 1 20 249.403 4 ↓
Hi High (pH 8-9.5) 2.22 5 -3.76 1 2 0 15 248.395 4 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1S)-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) 3.74 8.65 -33.56 2 2 1 16 279.473 5 ↓
Mid Mid (pH 6-8) 3.74 9.64 -106.73 3 2 2 21 280.481 5 ↓
Mid Mid (pH 6-8) 3.74 7.4 -37.74 2 2 1 20 279.473 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-thienyl)ethyl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(1R)-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) 3.74 8.75 -33.98 2 2 1 16 279.473 5 ↓
Mid Mid (pH 6-8) 3.74 7.44 -37.51 2 2 1 20 279.473 5 ↓
Mid Mid (pH 6-8) 3.74 9.68 -106.52 3 2 2 21 280.481 5 ↓

Analogs

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Popular Name: 4-[[(1S)-1-(3-thienyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1S)-1-(3-thienyl)ethyl]amin…

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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 3.44 -49.83 4 4 1 63 254.379 3 ↓
Hi High (pH 8-9.5) 1.34 2.43 -8.77 3 4 0 58 253.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(3-thienyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1R)-1-(3-thienyl)ethyl]amin…

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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 3.43 -49.51 4 4 1 63 254.379 3 ↓
Hi High (pH 8-9.5) 1.34 2.47 -10.48 3 4 0 58 253.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-thienyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1S)-1-(3-thienyl)ethyl]-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) 2.99 5.98 -41.33 2 2 1 20 293.378 5 ↓
Hi High (pH 8-9.5) 2.99 4.97 -3.29 1 2 0 15 292.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1R)-1-(3-thienyl)ethyl]-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) 2.99 5.98 -41.37 2 2 1 20 293.378 5 ↓
Hi High (pH 8-9.5) 2.99 5.03 -4.57 1 2 0 15 292.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-thienyl)ethyl]piperidin-4-amine N-[(1S)-1-(3-thienyl)ethyl]piper…

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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) 1.47 3.76 -37.75 3 2 1 29 211.354 3 ↓
Mid Mid (pH 6-8) 1.47 4.78 -104.52 4 2 2 33 212.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-thienyl)ethyl]piperidin-4-amine N-[(1R)-1-(3-thienyl)ethyl]piper…

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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) 1.47 3.86 -38.97 3 2 1 29 211.354 3 ↓
Mid Mid (pH 6-8) 1.47 4.8 -107.08 4 2 2 33 212.362 3 ↓

Analogs

37786344
37786344

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Popular Name: 1-methyl-N-(3-thienylmethyl)piperidin-4-amine 1-methyl-N-(3-thienylmethyl)pipe…

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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) 1.50 5.22 -34.53 2 2 1 16 211.354 3 ↓
Mid Mid (pH 6-8) 1.50 4.03 -39.06 2 2 1 20 211.354 3 ↓
Lo Low (pH 4.5-6) 1.50 6.41 -104.52 3 2 2 21 212.362 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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 7.57 -39.36 2 2 1 20 277.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-prop-2-ynyl-piperidin-4-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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 7.62 -39.53 2 2 1 20 277.457 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 4.18 10.44 -35.05 2 2 1 16 307.527 5 ↓
Lo Low (pH 4.5-6) 4.18 11.31 -108.19 3 2 2 21 308.535 5 ↓
Lo Low (pH 4.5-6) 4.18 9.06 -37.26 2 2 1 20 307.527 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 4.18 10.33 -34.97 2 2 1 16 307.527 5 ↓
Lo Low (pH 4.5-6) 4.18 11.39 -108.6 3 2 2 21 308.535 5 ↓
Lo Low (pH 4.5-6) 4.18 9.06 -37.61 2 2 1 20 307.527 5 ↓

Analogs

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Popular Name: 4-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1R)-1-(2,5-dimethyl-3-thien…

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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) 1.78 5.06 -49.22 4 4 1 63 282.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]piperidine-1-carboxamide 4-[[(1S)-1-(2,5-dimethyl-3-thien…

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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) 1.78 5.1 -49.7 4 4 1 63 282.433 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1R)-1-(2,5-dimethyl-3-thieny…

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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) 3.43 7.6 -41.07 2 2 1 20 321.432 5 ↓
Hi High (pH 8-9.5) 3.43 6.73 -5.22 1 2 0 15 320.424 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(1S)-1-(2,5-dimethyl-3-thieny…

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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) 3.43 7.64 -41.25 2 2 1 20 321.432 5 ↓
Hi High (pH 8-9.5) 3.43 6.66 -4.13 1 2 0 15 320.424 5 ↓

Parameters Provided:

ring.id = 15347
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 = 15347 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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