UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-(2-benzylthiazol-4-yl)acetyl]amino]-N-prop-2-ynyl-acetamide 2-[[2-(2-benzylthiazol-4-yl)acet…

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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) 1.85 4.99 -14.12 2 5 0 71 327.409 7 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-4-methyl-N-prop-2-ynyl-thiazole-5-carboxamide 2-[(4-fluorophenyl)methyl]-4-met…

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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) 2.54 6.49 -9.85 1 3 0 42 288.347 4 ↓

Analogs

42924582
42924582

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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) 2.31 7.48 -11.91 1 5 0 68 332.425 8 ↓

Analogs

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Popular Name: 5-methyl-2-(p-tolylmethyl)thiazole-4-carboxylic 5-methyl-2-(p-tolylmethyl)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) 3.04 7.86 -56.92 0 3 -1 53 246.311 3 ↓

Analogs

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Popular Name: 1-[2-[(2-methoxyphenyl)methyl]thiazol-4-yl]ethanone 1-[2-[(2-methoxyphenyl)methyl]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) 2.71 5.98 -7.05 0 3 0 39 247.319 4 ↓

Analogs

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Popular Name: 1-[2-[(3-methoxyphenyl)methyl]thiazol-4-yl]ethanone 1-[2-[(3-methoxyphenyl)methyl]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) 2.73 5.91 -8.02 0 3 0 39 247.319 4 ↓

Analogs

42390175
42390175

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Popular Name: 1-[2-[(4-methoxyphenyl)methyl]thiazol-4-yl]ethanone 1-[2-[(4-methoxyphenyl)methyl]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) 2.75 5.96 -8.84 0 3 0 39 247.319 4 ↓

Analogs

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Popular Name: (S)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methanamine (S)-(4-methylthiazol-2-yl)-(4-pr…

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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) 2.72 4.7 -6 2 3 0 48 262.378 5 ↓
Mid Mid (pH 6-8) 2.72 5.03 -45.78 3 3 1 50 263.386 5 ↓

Analogs

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Popular Name: (R)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methanamine (R)-(4-methylthiazol-2-yl)-(4-pr…

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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) 2.72 4.71 -6.33 2 3 0 48 262.378 5 ↓
Mid Mid (pH 6-8) 2.72 5.03 -45.73 3 3 1 50 263.386 5 ↓

Analogs

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Popular Name: (S)-(4-propoxyphenyl)-thiazol-2-yl-methanamine (S)-(4-propoxyphenyl)-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) 2.50 4.08 -5.64 2 3 0 48 248.351 5 ↓
Mid Mid (pH 6-8) 2.50 4.41 -43.33 3 3 1 50 249.359 5 ↓

Analogs

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Popular Name: (R)-(4-propoxyphenyl)-thiazol-2-yl-methanamine (R)-(4-propoxyphenyl)-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) 2.50 4.08 -5.97 2 3 0 48 248.351 5 ↓
Mid Mid (pH 6-8) 2.50 4.41 -43.34 3 3 1 50 249.359 5 ↓

Analogs

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Popular Name: (S)-(4,5-dimethylthiazol-2-yl)-(4-propoxyphenyl)methanamine (S)-(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) 2.94 5.43 -6.49 2 3 0 48 276.405 5 ↓
Mid Mid (pH 6-8) 2.94 5.77 -42.87 3 3 1 50 277.413 5 ↓

Analogs

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Popular Name: (R)-(4,5-dimethylthiazol-2-yl)-(4-propoxyphenyl)methanamine (R)-(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) 2.94 5.43 -5.98 2 3 0 48 276.405 5 ↓
Mid Mid (pH 6-8) 2.94 5.76 -42.95 3 3 1 50 277.413 5 ↓

Analogs

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Popular Name: (S)-(4-isopropylthiazol-2-yl)-(4-propoxyphenyl)methanamine (S)-(4-isopropylthiazol-2-yl)-(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) 3.78 5.98 -6.12 2 3 0 48 290.432 6 ↓
Mid Mid (pH 6-8) 3.78 6.3 -45.69 3 3 1 50 291.44 6 ↓

Analogs

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Popular Name: (R)-(4-isopropylthiazol-2-yl)-(4-propoxyphenyl)methanamine (R)-(4-isopropylthiazol-2-yl)-(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) 3.78 5.97 -5.72 2 3 0 48 290.432 6 ↓
Mid Mid (pH 6-8) 3.78 6.3 -45.58 3 3 1 50 291.44 6 ↓

Analogs

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Popular Name: (S)-(4-tert-butylthiazol-2-yl)-(4-propoxyphenyl)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) 4.44 6.54 -5.64 2 3 0 48 304.459 6 ↓
Mid Mid (pH 6-8) 4.44 6.86 -45.42 3 3 1 50 305.467 6 ↓

Analogs

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Popular Name: (R)-(4-tert-butylthiazol-2-yl)-(4-propoxyphenyl)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) 4.44 6.53 -5.39 2 3 0 48 304.459 6 ↓
Mid Mid (pH 6-8) 4.44 6.86 -45.45 3 3 1 50 305.467 6 ↓

Analogs

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Popular Name: (S)-(4-ethyl-5-methyl-thiazol-2-yl)-(4-propoxyphenyl)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) 3.51 6.18 -6.21 2 3 0 48 290.432 6 ↓
Mid Mid (pH 6-8) 3.51 6.51 -45.07 3 3 1 50 291.44 6 ↓

Analogs

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Popular Name: (R)-(4-ethyl-5-methyl-thiazol-2-yl)-(4-propoxyphenyl)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) 3.51 6.19 -6.64 2 3 0 48 290.432 6 ↓
Mid Mid (pH 6-8) 3.51 6.51 -44.95 3 3 1 50 291.44 6 ↓

Analogs

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

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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 6.12 -37.71 2 3 1 39 263.386 6 ↓
Mid Mid (pH 6-8) 2.87 4.99 -5.98 1 3 0 34 262.378 6 ↓

Analogs

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

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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 6.21 -38.16 2 3 1 39 263.386 6 ↓
Mid Mid (pH 6-8) 2.87 4.93 -6.25 1 3 0 34 262.378 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4-methylthiazol-2-yl)-1-(4-propoxyphenyl)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) 3.09 6.76 -39.76 2 3 1 39 277.413 6 ↓
Mid Mid (pH 6-8) 3.09 5.65 -5.54 1 3 0 34 276.405 6 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4-methylthiazol-2-yl)-1-(4-propoxyphenyl)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) 3.09 6.8 -39.95 2 3 1 39 277.413 6 ↓
Mid Mid (pH 6-8) 3.09 5.58 -5.68 1 3 0 34 276.405 6 ↓

Analogs

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Popular Name: (1S)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 3.31 7.48 -37.24 2 3 1 39 291.44 6 ↓
Mid Mid (pH 6-8) 3.31 6.34 -6.36 1 3 0 34 290.432 6 ↓

Analogs

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Popular Name: (1R)-1-(4,5-dimethylthiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 3.31 7.55 -37.75 2 3 1 39 291.44 6 ↓
Mid Mid (pH 6-8) 3.31 6.29 -6.75 1 3 0 34 290.432 6 ↓

Analogs

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Popular Name: (1S)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 3.89 8.24 -39.06 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.89 7.12 -5.87 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: (1R)-1-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 3.89 8.27 -39.3 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.89 7.06 -6.06 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: (1S)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 4.15 8.03 -39.6 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 4.15 6.92 -5.34 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: (1R)-1-(4-isopropylthiazol-2-yl)-N-methyl-1-(4-propoxyphenyl)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) 4.15 8.07 -39.81 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 4.15 6.85 -5.42 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: N-[(S)-(4-propoxyphenyl)-thiazol-2-yl-methyl]ethanamine N-[(S)-(4-propoxyphenyl)-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) 3.25 6.97 -36.02 2 3 1 39 277.413 7 ↓
Mid Mid (pH 6-8) 3.25 6.05 -5.35 1 3 0 34 276.405 7 ↓

Analogs

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Popular Name: N-[(R)-(4-propoxyphenyl)-thiazol-2-yl-methyl]ethanamine N-[(R)-(4-propoxyphenyl)-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) 3.25 7.05 -36.44 2 3 1 39 277.413 7 ↓
Mid Mid (pH 6-8) 3.25 5.93 -6.07 1 3 0 34 276.405 7 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]ethanamine N-[(S)-(4-methylthiazol-2-yl)-(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) 3.47 7.6 -37.41 2 3 1 39 291.44 7 ↓
Mid Mid (pH 6-8) 3.47 6.56 -5.3 1 3 0 34 290.432 7 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]ethanamine N-[(R)-(4-methylthiazol-2-yl)-(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) 3.47 7.65 -37.56 2 3 1 39 291.44 7 ↓
Mid Mid (pH 6-8) 3.47 6.5 -5.42 1 3 0 34 290.432 7 ↓

Analogs

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Popular Name: N-[(S)-(4,5-dimethylthiazol-2-yl)-(4-propoxyphenyl)methyl]ethanamine N-[(S)-(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) 3.69 8.33 -35.49 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.69 7.27 -6.17 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: N-[(R)-(4,5-dimethylthiazol-2-yl)-(4-propoxyphenyl)methyl]ethanamine N-[(R)-(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) 3.69 8.39 -36 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.69 7.22 -6.55 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: N-[(S)-(4-propoxyphenyl)-thiazol-2-yl-methyl]propan-1-amine N-[(S)-(4-propoxyphenyl)-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) 3.75 7.81 -36.93 2 3 1 39 291.44 8 ↓
Mid Mid (pH 6-8) 3.75 6.69 -5.99 1 3 0 34 290.432 8 ↓

Analogs

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Popular Name: N-[(R)-(4-propoxyphenyl)-thiazol-2-yl-methyl]propan-1-amine N-[(R)-(4-propoxyphenyl)-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) 3.75 7.81 -36.95 2 3 1 39 291.44 8 ↓
Mid Mid (pH 6-8) 3.75 6.81 -5.25 1 3 0 34 290.432 8 ↓

Analogs

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Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]propan-1-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 3.97 8.39 -38.2 2 3 1 39 305.467 8 ↓
Mid Mid (pH 6-8) 3.97 7.33 -5.31 1 3 0 34 304.459 8 ↓

Analogs

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Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]propan-1-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 3.97 8.4 -38.17 2 3 1 39 305.467 8 ↓
Mid Mid (pH 6-8) 3.97 7.33 -5.45 1 3 0 34 304.459 8 ↓

Analogs

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Popular Name: N-[(S)-(4-propoxyphenyl)-thiazol-2-yl-methyl]propan-2-amine N-[(S)-(4-propoxyphenyl)-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) 3.54 7.49 -33.41 2 3 1 39 291.44 7 ↓
Mid Mid (pH 6-8) 3.54 6.69 -5.1 1 3 0 34 290.432 7 ↓

Analogs

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Popular Name: N-[(R)-(4-propoxyphenyl)-thiazol-2-yl-methyl]propan-2-amine N-[(R)-(4-propoxyphenyl)-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) 3.54 7.58 -33.9 2 3 1 39 291.44 7 ↓
Mid Mid (pH 6-8) 3.54 6.46 -5.46 1 3 0 34 290.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]propan-2-amine N-[(S)-(4-methylthiazol-2-yl)-(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) 3.77 8.12 -35.27 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.77 7.22 -5.55 1 3 0 34 304.459 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-methylthiazol-2-yl)-(4-propoxyphenyl)methyl]propan-2-amine N-[(R)-(4-methylthiazol-2-yl)-(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) 3.77 8.15 -35.51 2 3 1 39 305.467 7 ↓
Mid Mid (pH 6-8) 3.77 7.08 -5.68 1 3 0 34 304.459 7 ↓

Analogs

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Popular Name: (S)-(4-methylthiazol-2-yl)-(3-propoxyphenyl)methanamine (S)-(4-methylthiazol-2-yl)-(3-pr…

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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) 2.69 4.69 -7.06 2 3 0 48 262.378 5 ↓
Mid Mid (pH 6-8) 2.69 5.02 -45.73 3 3 1 50 263.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4-methylthiazol-2-yl)-(3-propoxyphenyl)methanamine (R)-(4-methylthiazol-2-yl)-(3-pr…

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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) 2.69 4.7 -7.45 2 3 0 48 262.378 5 ↓
Mid Mid (pH 6-8) 2.69 5.02 -45.68 3 3 1 50 263.386 5 ↓

Analogs

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Popular Name: (S)-(3-propoxyphenyl)-thiazol-2-yl-methanamine (S)-(3-propoxyphenyl)-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) 2.47 4.07 -5.49 2 3 0 48 248.351 5 ↓
Mid Mid (pH 6-8) 2.47 4.41 -41.65 3 3 1 50 249.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(3-propoxyphenyl)-thiazol-2-yl-methanamine (R)-(3-propoxyphenyl)-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) 2.47 4.07 -5.14 2 3 0 48 248.351 5 ↓
Mid Mid (pH 6-8) 2.47 4.4 -41.67 3 3 1 50 249.359 5 ↓

Analogs

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Popular Name: (S)-(4,5-dimethylthiazol-2-yl)-(3-propoxyphenyl)methanamine (S)-(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) 2.92 5.42 -6.1 2 3 0 48 276.405 5 ↓
Mid Mid (pH 6-8) 2.92 5.76 -41.32 3 3 1 50 277.413 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dimethylthiazol-2-yl)-(3-propoxyphenyl)methanamine (R)-(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) 2.92 5.42 -5.61 2 3 0 48 276.405 5 ↓
Mid Mid (pH 6-8) 2.92 5.75 -41.36 3 3 1 50 277.413 5 ↓

Analogs

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Popular Name: (S)-(4-isopropylthiazol-2-yl)-(3-propoxyphenyl)methanamine (S)-(4-isopropylthiazol-2-yl)-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 5.97 -7.21 2 3 0 48 290.432 6 ↓
Mid Mid (pH 6-8) 3.75 6.29 -45.59 3 3 1 50 291.44 6 ↓

Parameters Provided:

ring.id = 6365
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 = 6365 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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