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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: 4-(chloromethyl)-2-(2-thienylmethyl)thiazole 4-(chloromethyl)-2-(2-thienylmet…

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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 6.4 -6.34 0 1 0 13 229.757 3 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)thiazole-4-carboxylic 2-(2-thienylmethyl)thiazole-4-ca…

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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) 2.27 5.61 -57.04 0 3 -1 53 224.286 3 ↓

Analogs

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Popular Name: 2-[2-(2-thienylmethyl)thiazol-4-yl]acetic 2-[2-(2-thienylmethyl)thiazol-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) 2.12 6.65 -54.06 0 3 -1 53 238.313 4 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)thiazole-4-carbaldehyde 2-(2-thienylmethyl)thiazole-4-ca…

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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 4.84 -13.63 0 2 0 30 209.295 3 ↓

Analogs

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Popular Name: 4-methyl-2-(2-thienylmethyl)thiazole-5-carboxylic 4-methyl-2-(2-thienylmethyl)thia…

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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 6.51 -46.13 0 3 -1 53 238.313 3 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)thiazole-5-carboxylic 2-(2-thienylmethyl)thiazole-5-ca…

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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) 2.27 6.01 -46.08 0 3 -1 53 224.286 3 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)thiazole-5-carbaldehyde 2-(2-thienylmethyl)thiazole-5-ca…

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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 5.13 -8.92 0 2 0 30 209.295 3 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1R)-1-[4-methyl-2-(2-thienylmet…

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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) 0.79 4.61 -47.36 3 2 1 41 239.389 3 ↓
Mid Mid (pH 6-8) 0.79 4.28 -6.53 2 2 0 39 238.381 3 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1S)-1-[4-methyl-2-(2-thienylmet…

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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) 0.79 4.62 -47.81 3 2 1 41 239.389 3 ↓
Mid Mid (pH 6-8) 0.79 4.3 -5.62 2 2 0 39 238.381 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1R)-N-methyl-1-[4-methyl-2-(2-t…

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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) 3.04 6.32 -41.86 2 2 1 29 253.416 4 ↓
Hi High (pH 8-9.5) 3.04 5.06 -6.21 1 2 0 25 252.408 4 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1S)-N-methyl-1-[4-methyl-2-(2-t…

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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) 3.04 6.33 -42.32 2 2 1 29 253.416 4 ↓
Hi High (pH 8-9.5) 3.04 5.04 -5.45 1 2 0 25 252.408 4 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1S)-N-ethyl-1-[4-methyl-2-(2-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) 3.42 7.16 -41.08 2 2 1 29 267.443 5 ↓
Hi High (pH 8-9.5) 3.42 5.98 -5.84 1 2 0 25 266.435 5 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanamine (1R)-N-ethyl-1-[4-methyl-2-(2-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) 3.42 7.18 -40.27 2 2 1 29 267.443 5 ↓
Hi High (pH 8-9.5) 3.42 5.97 -5.19 1 2 0 25 266.435 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1S)-1-[4-methyl-2-(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) 3.92 7.93 -41.69 2 2 1 29 281.47 6 ↓
Hi High (pH 8-9.5) 3.92 6.73 -5.76 1 2 0 25 280.462 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethyl]propan-1-amine N-[(1R)-1-[4-methyl-2-(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) 3.92 7.93 -40.92 2 2 1 29 281.47 6 ↓
Hi High (pH 8-9.5) 3.92 6.73 -5.06 1 2 0 25 280.462 6 ↓

Analogs

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Popular Name: [2-(2-thienylmethyl)thiazol-5-yl]methanamine [2-(2-thienylmethyl)thiazol-5-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) 1.88 3.44 -49.05 3 2 1 41 211.335 3 ↓
Mid Mid (pH 6-8) 1.88 3.03 -5.94 2 2 0 39 210.327 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-thienylmethyl)thiazol-5-yl]methanamine N-methyl-1-[2-(2-thienylmethyl)t…

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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) 2.26 5.31 -43.35 2 2 1 29 225.362 4 ↓
Hi High (pH 8-9.5) 2.26 3.87 -5.64 1 2 0 25 224.354 4 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-5-yl]methyl]ethanamine N-[[2-(2-thienylmethyl)thiazol-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) 2.63 6.17 -42.45 2 2 1 29 239.389 5 ↓
Hi High (pH 8-9.5) 2.63 4.8 -5.42 1 2 0 25 238.381 5 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-1-amine N-[[2-(2-thienylmethyl)thiazol-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) 3.14 6.92 -43.31 2 2 1 29 253.416 6 ↓
Hi High (pH 8-9.5) 3.14 5.56 -5.31 1 2 0 25 252.408 6 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-2-amine N-[[2-(2-thienylmethyl)thiazol-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) 2.93 6.69 -40.74 2 2 1 29 253.416 5 ↓
Hi High (pH 8-9.5) 2.93 5.47 -5.3 1 2 0 25 252.408 5 ↓

Analogs

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Popular Name: [2-(2-thienylmethyl)thiazol-4-yl]methanamine [2-(2-thienylmethyl)thiazol-4-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) 1.88 3.17 -41.83 3 2 1 41 211.335 3 ↓
Hi High (pH 8-9.5) 1.88 2.77 -7.05 2 2 0 39 210.327 3 ↓

Analogs

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Popular Name: N-methyl-1-[2-(2-thienylmethyl)thiazol-4-yl]methanamine N-methyl-1-[2-(2-thienylmethyl)t…

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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) 2.26 5.05 -36.85 2 2 1 29 225.362 4 ↓
Hi High (pH 8-9.5) 2.26 3.6 -5.33 1 2 0 25 224.354 4 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-4-yl]methyl]ethanamine N-[[2-(2-thienylmethyl)thiazol-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) 2.63 5.91 -36.01 2 2 1 29 239.389 5 ↓
Hi High (pH 8-9.5) 2.63 4.54 -5.15 1 2 0 25 238.381 5 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-4-yl]methyl]propan-1-amine N-[[2-(2-thienylmethyl)thiazol-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) 3.14 6.66 -36.66 2 2 1 29 253.416 6 ↓
Hi High (pH 8-9.5) 3.14 5.3 -5.02 1 2 0 25 252.408 6 ↓

Analogs

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Popular Name: N-[[2-(2-thienylmethyl)thiazol-4-yl]methyl]propan-2-amine N-[[2-(2-thienylmethyl)thiazol-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) 2.93 6.44 -34.15 2 2 1 29 253.416 5 ↓
Hi High (pH 8-9.5) 2.93 5.21 -4.98 1 2 0 25 252.408 5 ↓

Analogs

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Popular Name: (1R)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanol (1R)-1-[4-methyl-2-(2-thienylmet…

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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) 2.48 4.01 -8.15 1 2 0 33 239.365 3 ↓

Analogs

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Popular Name: (1S)-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]ethanol (1S)-1-[4-methyl-2-(2-thienylmet…

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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) 2.48 4.02 -8.05 1 2 0 33 239.365 3 ↓

Analogs

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Popular Name: [4-methyl-2-(2-thienylmethyl)thiazol-5-yl]methanamine [4-methyl-2-(2-thienylmethyl)thi…

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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) 2.10 3.96 -49.67 3 2 1 41 225.362 3 ↓
Mid Mid (pH 6-8) 2.10 3.55 -6.33 2 2 0 39 224.354 3 ↓

Analogs

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Popular Name: N-methyl-1-[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]methanamine N-methyl-1-[4-methyl-2-(2-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) 2.48 5.83 -43.85 2 2 1 29 239.389 4 ↓
Hi High (pH 8-9.5) 2.48 4.37 -5.74 1 2 0 25 238.381 4 ↓

Analogs

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Popular Name: N-[[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]methyl]ethanamine N-[[4-methyl-2-(2-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) 2.86 6.71 -43.06 2 2 1 29 253.416 5 ↓
Hi High (pH 8-9.5) 2.86 5.33 -5.53 1 2 0 25 252.408 5 ↓

Analogs

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Popular Name: N-[[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-2-amine N-[[4-methyl-2-(2-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) 3.15 7.21 -40.99 2 2 1 29 267.443 5 ↓
Hi High (pH 8-9.5) 3.15 5.99 -5.44 1 2 0 25 266.435 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[4-methyl-2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[4-methyl-2-(2-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) 3.60 8.13 -43.62 2 2 1 29 281.47 6 ↓
Hi High (pH 8-9.5) 3.60 6.9 -5.34 1 2 0 25 280.462 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[2-(2-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) 3.44 7.13 -38.78 2 2 1 29 267.443 5 ↓
Hi High (pH 8-9.5) 3.44 5.88 -5.16 1 2 0 25 266.435 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[2-(2-thienylmethyl)thiazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[2-(2-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) 3.38 7.62 -43.3 2 2 1 29 267.443 6 ↓
Hi High (pH 8-9.5) 3.38 6.4 -5.15 1 2 0 25 266.435 6 ↓

Analogs

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Popular Name: (R)-(4-isopropylthiazol-2-yl)-(2-thienyl)methanamine (R)-(4-isopropylthiazol-2-yl)-(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) 2.74 4.03 -5.21 2 2 0 39 238.381 3 ↓
Mid Mid (pH 6-8) 2.74 4.35 -40.77 3 2 1 41 239.389 3 ↓

Analogs

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Popular Name: (S)-(4-isopropylthiazol-2-yl)-(2-thienyl)methanamine (S)-(4-isopropylthiazol-2-yl)-(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) 2.74 4.03 -5.01 2 2 0 39 238.381 3 ↓
Mid Mid (pH 6-8) 2.74 4.35 -40.76 3 2 1 41 239.389 3 ↓

Analogs

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Popular Name: (R)-(4-tert-butylthiazol-2-yl)-(2-thienyl)methanamine (R)-(4-tert-butylthiazol-2-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) 3.41 4.58 -4.61 2 2 0 39 252.408 3 ↓
Mid Mid (pH 6-8) 3.41 4.9 -40.57 3 2 1 41 253.416 3 ↓

Analogs

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Popular Name: (S)-(4-tert-butylthiazol-2-yl)-(2-thienyl)methanamine (S)-(4-tert-butylthiazol-2-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) 3.41 4.58 -4.84 2 2 0 39 252.408 3 ↓
Mid Mid (pH 6-8) 3.41 4.9 -40.61 3 2 1 41 253.416 3 ↓

Analogs

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Popular Name: (R)-(4-ethyl-5-methyl-thiazol-2-yl)-(2-thienyl)methanamine (R)-(4-ethyl-5-methyl-thiazol-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) 2.48 4.23 -5.51 2 2 0 39 238.381 3 ↓
Mid Mid (pH 6-8) 2.48 4.55 -40.23 3 2 1 41 239.389 3 ↓

Analogs

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Popular Name: (S)-(4-ethyl-5-methyl-thiazol-2-yl)-(2-thienyl)methanamine (S)-(4-ethyl-5-methyl-thiazol-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) 2.48 4.23 -5.85 2 2 0 39 238.381 3 ↓
Mid Mid (pH 6-8) 2.48 4.55 -40.32 3 2 1 41 239.389 3 ↓

Analogs

19729226
19729226

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Popular Name: (1S)-N-methyl-1-thiazol-2-yl-1-(2-thienyl)methanamine (1S)-N-methyl-1-thiazol-2-yl-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) 1.84 2.88 -5.94 1 2 0 25 210.327 3 ↓
Mid Mid (pH 6-8) 1.84 4.2 -34.27 2 2 1 29 211.335 3 ↓

Analogs

19729226
19729226

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Popular Name: (1R)-N-methyl-1-thiazol-2-yl-1-(2-thienyl)methanamine (1R)-N-methyl-1-thiazol-2-yl-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) 1.84 2.87 -5.68 1 2 0 25 210.327 3 ↓
Mid Mid (pH 6-8) 1.84 4.19 -34.38 2 2 1 29 211.335 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methylthiazol-2-yl)-1-(2-thienyl)methanamine (1R)-N-methyl-1-(4-methylthiazol…

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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 3.51 -5.29 1 2 0 25 224.354 3 ↓
Mid Mid (pH 6-8) 2.06 4.8 -35.55 2 2 1 29 225.362 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methylthiazol-2-yl)-1-(2-thienyl)methanamine (1S)-N-methyl-1-(4-methylthiazol…

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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 3.51 -5.25 1 2 0 25 224.354 3 ↓
Mid Mid (pH 6-8) 2.06 4.84 -35.59 2 2 1 29 225.362 3 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1R)-1-(4,5-dimethylthiazol-2-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) 2.28 4.24 -6.5 1 2 0 25 238.381 3 ↓
Mid Mid (pH 6-8) 2.28 5.54 -34.01 2 2 1 29 239.389 3 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1S)-1-(4,5-dimethylthiazol-2-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) 2.28 4.24 -6.09 1 2 0 25 238.381 3 ↓
Mid Mid (pH 6-8) 2.28 5.57 -33.88 2 2 1 29 239.389 3 ↓

Analogs

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Popular Name: (1R)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1R)-1-(4-ethyl-5-methyl-thiazol…

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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) 2.85 4.99 -5.75 1 2 0 25 252.408 4 ↓
Mid Mid (pH 6-8) 2.85 6.26 -34.95 2 2 1 29 253.416 4 ↓

Analogs

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Popular Name: (1S)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1S)-1-(4-ethyl-5-methyl-thiazol…

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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) 2.85 4.98 -5.62 1 2 0 25 252.408 4 ↓
Mid Mid (pH 6-8) 2.85 6.32 -35.06 2 2 1 29 253.416 4 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1R)-1-(4-isopropylthiazol-2-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) 3.11 4.79 -5.07 1 2 0 25 252.408 4 ↓
Mid Mid (pH 6-8) 3.11 6.06 -35.39 2 2 1 29 253.416 4 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(2-thienyl)methanamine (1S)-1-(4-isopropylthiazol-2-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) 3.11 4.78 -4.92 1 2 0 25 252.408 4 ↓
Mid Mid (pH 6-8) 3.11 6.11 -35.47 2 2 1 29 253.416 4 ↓

Parameters Provided:

ring.id = 33027
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 = 33027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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