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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: 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-(…

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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) 1.51 5.78 -38.24 2 4 1 42 256.395 8 ↓
Hi High (pH 8-9.5) 1.51 4.49 -7.01 1 4 0 37 255.387 8 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-4-propyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-(…

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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) 2.81 7.84 -38.9 2 4 1 42 298.476 10 ↓
Hi High (pH 8-9.5) 2.81 6.56 -6.99 1 4 0 37 297.468 10 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N,4-dimethyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-(…

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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) 1.73 6.28 -38.96 2 4 1 42 270.422 8 ↓
Hi High (pH 8-9.5) 1.73 4.99 -7.23 1 4 0 37 269.414 8 ↓

Analogs

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Popular Name: 4-tert-butyl-5-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-thiazol-2-amine 4-tert-butyl-5-[(cyclopropylamin…

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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) 3.46 8.18 -37.55 2 4 1 42 312.503 9 ↓
Hi High (pH 8-9.5) 3.46 6.93 -6.76 1 4 0 37 311.495 9 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-4-ethyl-N-(3-methoxypropyl)-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-4-e…

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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 7.07 -38.64 2 4 1 42 284.449 9 ↓
Hi High (pH 8-9.5) 2.31 5.78 -7.05 1 4 0 37 283.441 9 ↓

Analogs

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Popular Name: (1S)-2,2-dimethyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1S)-2,2-dimethyl-N-(thiazol-5-y…

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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) 1.60 4.7 -38.29 2 2 1 29 183.3 3 ↓
Hi High (pH 8-9.5) 1.60 3.33 -3.92 1 2 0 25 182.292 3 ↓

Analogs

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Popular Name: (1R)-2,2-dimethyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1R)-2,2-dimethyl-N-(thiazol-5-y…

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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) 1.60 4.7 -38.35 2 2 1 29 183.3 3 ↓
Hi High (pH 8-9.5) 1.60 3.43 -3.85 1 2 0 25 182.292 3 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1S,2R)-2-methyl-N-(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) 1.64 4.2 -38.06 2 2 1 29 169.273 3 ↓
Hi High (pH 8-9.5) 1.64 2.82 -4.01 1 2 0 25 168.265 3 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1S,2S)-2-methyl-N-(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) 1.64 3.95 -38.63 2 2 1 29 169.273 3 ↓
Hi High (pH 8-9.5) 1.64 2.65 -3.96 1 2 0 25 168.265 3 ↓

Analogs

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Popular Name: (1R,2R)-2-methyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1R,2R)-2-methyl-N-(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) 1.64 3.95 -38.7 2 2 1 29 169.273 3 ↓
Hi High (pH 8-9.5) 1.64 2.65 -4.01 1 2 0 25 168.265 3 ↓

Analogs

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Popular Name: (1R,2S)-2-methyl-N-(thiazol-5-ylmethyl)cyclopropanamine (1R,2S)-2-methyl-N-(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) 1.64 4.2 -38.1 2 2 1 29 169.273 3 ↓
Hi High (pH 8-9.5) 1.64 2.92 -3.87 1 2 0 25 168.265 3 ↓

Analogs

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Popular Name: N-[[2-(2,2-dimethylpropyl)-4-methyl-thiazol-5-yl]methyl]cyclopropanamine N-[[2-(2,2-dimethylpropyl)-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) 2.87 7.03 -37.86 2 2 1 29 239.408 5 ↓
Hi High (pH 8-9.5) 2.87 5.74 -3.78 1 2 0 25 238.4 5 ↓

Analogs

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Popular Name: (1S,2R)-N-[(2-tert-butylthiazol-5-yl)methyl]-2-methyl-cyclopropanamine (1S,2R)-N-[(2-tert-butylthiazol-…

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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) 3.08 6.78 -37.44 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.08 5.4 -3.87 1 2 0 25 224.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2-tert-butylthiazol-5-yl)methyl]-2-methyl-cyclopropanamine (1S,2S)-N-[(2-tert-butylthiazol-…

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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) 3.08 6.53 -38.08 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.08 5.23 -3.84 1 2 0 25 224.373 4 ↓

Analogs

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Popular Name: (1R,2R)-N-[(2-tert-butylthiazol-5-yl)methyl]-2-methyl-cyclopropanamine (1R,2R)-N-[(2-tert-butylthiazol-…

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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) 3.08 6.53 -38.14 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.08 5.24 -3.9 1 2 0 25 224.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(2-tert-butylthiazol-5-yl)methyl]-2-methyl-cyclopropanamine (1R,2S)-N-[(2-tert-butylthiazol-…

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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) 3.08 6.78 -37.56 2 2 1 29 225.381 4 ↓
Hi High (pH 8-9.5) 3.08 5.51 -3.77 1 2 0 25 224.373 4 ↓

Analogs

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Popular Name: (2-Chloro-thiazol-5-ylmethyl)-cyclopropyl-amine (2-Chloro-thiazol-5-ylmethyl)-cy…

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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) 1.83 3.8 -42.44 2 2 1 29 189.691 3 ↓
Hi High (pH 8-9.5) 1.83 2.5 -3.76 1 2 0 25 188.683 3 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-isopropyl-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-i…

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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) 1.93 6.5 -36.73 2 3 1 33 226.369 5 ↓
Hi High (pH 8-9.5) 1.93 5.2 -5.08 1 3 0 28 225.361 5 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N,N-dipropyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 8.42 -36.3 2 3 1 33 254.423 8 ↓
Hi High (pH 8-9.5) 3.02 7.12 -4.71 1 3 0 28 253.415 8 ↓

Analogs

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Popular Name: N-butyl-5-[(cyclopropylamino)methyl]-N-methyl-thiazol-2-amine N-butyl-5-[(cyclopropylamino)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) 2.69 7.49 -36.76 2 3 1 33 240.396 7 ↓
Hi High (pH 8-9.5) 2.69 6.2 -5.15 1 3 0 28 239.388 7 ↓

Analogs

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Popular Name: N-butyl-5-[(cyclopropylamino)methyl]-N-ethyl-thiazol-2-amine N-butyl-5-[(cyclopropylamino)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) 3.07 8.44 -36.36 2 3 1 33 254.423 8 ↓
Hi High (pH 8-9.5) 3.07 7.14 -4.92 1 3 0 28 253.415 8 ↓

Analogs

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Popular Name: N,N-dibutyl-5-[(cyclopropylamino)methyl]thiazol-2-amine N,N-dibutyl-5-[(cyclopropylamino…

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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) 4.13 9.98 -36.23 2 3 1 33 282.477 10 ↓
Hi High (pH 8-9.5) 4.13 8.68 -4.58 1 3 0 28 281.469 10 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-isobutyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 2.76 8.13 -35.6 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.76 6.86 -4.84 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 1.63 5.96 -36.94 2 3 1 33 212.342 5 ↓
Hi High (pH 8-9.5) 1.63 4.67 -5.34 1 3 0 28 211.334 5 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.14 6.71 -36.83 2 3 1 33 226.369 6 ↓
Hi High (pH 8-9.5) 2.14 5.42 -5.23 1 3 0 28 225.361 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-isopropyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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 7.27 -36.24 2 3 1 33 240.396 6 ↓
Hi High (pH 8-9.5) 2.31 5.97 -4.98 1 3 0 28 239.388 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-isobutyl-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-i…

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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 7.18 -35.99 2 3 1 33 240.396 6 ↓
Hi High (pH 8-9.5) 2.38 5.94 -5.05 1 3 0 28 239.388 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-propyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 2.51 7.66 -36.43 2 3 1 33 240.396 7 ↓
Hi High (pH 8-9.5) 2.51 6.36 -4.97 1 3 0 28 239.388 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1R)-1-methylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.47 7.52 -36.27 2 3 1 33 240.396 6 ↓
Hi High (pH 8-9.5) 2.47 6.22 -4.93 1 3 0 28 239.388 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1S)-1-methylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.47 7.51 -36.26 2 3 1 33 240.396 6 ↓
Hi High (pH 8-9.5) 2.47 6.22 -4.95 1 3 0 28 239.388 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-isopropyl-N-propyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-i…

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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) 2.81 8.57 -35.42 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.81 7.27 -4.22 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-[(1R)-1-methylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 2.84 8.14 -35.95 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.84 6.85 -4.76 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-[(1S)-1-methylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 2.84 8.27 -35.86 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.84 6.97 -4.74 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 3.20 8.27 -36.64 2 3 1 33 254.423 8 ↓
Hi High (pH 8-9.5) 3.20 6.98 -5.12 1 3 0 28 253.415 8 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2R)-2-methylbutyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.88 7.88 -36.44 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.88 6.59 -5.07 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(2S)-2-methylbutyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.88 7.83 -35.84 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 2.88 6.53 -4.6 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-(1-ethylpropyl)-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-(…

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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) 3.00 8.54 -35.87 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 3.00 7.24 -4.81 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1R)-1-methylbutyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 3.02 8.29 -36.13 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 3.02 6.99 -4.83 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1S)-1-methylbutyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 3.02 8.29 -36.11 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 3.02 6.99 -4.85 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-[(1R)-1,2-dimethylpropyl]-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-[…

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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 8.2 -36.26 2 3 1 33 254.423 6 ↓
Hi High (pH 8-9.5) 2.71 6.8 -4.85 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-[(1S)-1,2-dimethylpropyl]-N-methyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-[…

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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 8.11 -36.17 2 3 1 33 254.423 6 ↓
Hi High (pH 8-9.5) 2.71 6.92 -4.73 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-(2,2,2-trifluoroethyl)thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 2.18 6.22 -39.47 2 3 1 33 266.312 6 ↓
Hi High (pH 8-9.5) 2.18 4.92 -6.63 1 3 0 28 265.304 6 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N,N-diisobutyl-thiazol-2-amine 5-[(cyclopropylamino)methyl]-N,N…

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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) 3.50 8.99 -35.28 2 3 1 33 282.477 8 ↓
Hi High (pH 8-9.5) 3.50 7.73 -4.53 1 3 0 28 281.469 8 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-isopropyl-N-(2,2,2-trifluoroethyl)thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-i…

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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 8 -39.21 2 3 1 33 294.366 7 ↓
Hi High (pH 8-9.5) 2.86 6.7 -5.83 1 3 0 28 293.358 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2,2,2-trifluoroethyl)thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 2.56 7.11 -39.7 2 3 1 33 280.339 7 ↓
Hi High (pH 8-9.5) 2.56 5.81 -6.26 1 3 0 28 279.331 7 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-p…

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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 7.87 -39.72 2 3 1 33 294.366 8 ↓
Hi High (pH 8-9.5) 3.06 6.57 -6.08 1 3 0 28 293.358 8 ↓

Analogs

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Popular Name: N-[5-[(cyclopropylamino)methyl]thiazol-2-yl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[5-[(cyclopropylamino)methyl]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) 2.41 9.46 -89.73 3 4 2 37 298.5 9 ↓
Hi High (pH 8-9.5) 2.41 5.68 -3.92 1 4 0 31 296.484 9 ↓
Hi High (pH 8-9.5) 2.41 6.99 -36.03 2 4 1 36 297.492 9 ↓

Analogs

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Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1S)-1,2,2-trimethylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 3.29 8.99 -35.23 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.29 7.69 -3.71 1 3 0 28 267.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(cyclopropylamino)methyl]-N-methyl-N-[(1R)-1,2,2-trimethylpropyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-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) 3.29 8.38 -36.18 2 3 1 33 268.45 6 ↓
Hi High (pH 8-9.5) 3.29 7.09 -4.8 1 3 0 28 267.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(cyclopropylamino)methyl]-N-ethyl-N-[(1S)-2-methoxy-1-methyl-ethyl]thiazol-2-amine 5-[(cyclopropylamino)methyl]-N-e…

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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) 1.95 7.77 -35.25 2 4 1 42 270.422 8 ↓
Hi High (pH 8-9.5) 1.95 6.47 -5.34 1 4 0 37 269.414 8 ↓

Parameters Provided:

ring.id = 17882
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 = 17882 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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