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Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]thiazole-5-carbaldehyde 2-[cycloheptyl(methyl)amino]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) 3.53 7.2 -8.08 0 3 0 33 238.356 3 ↓

Analogs

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Popular Name: 1-[2-[cycloheptyl(methyl)amino]thiazol-5-yl]ethanone 1-[2-[cycloheptyl(methyl)amino]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) 3.64 7.97 -9.19 0 3 0 33 252.383 3 ↓

Analogs

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Popular Name: 1-[2-[cycloheptyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[cycloheptyl(methyl)amino]-…

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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) 3.86 8.45 -7.88 0 3 0 33 266.41 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-cycloheptyl-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-cyclohep…

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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 6.57 -43.31 3 3 1 44 268.45 3 ↓
Mid Mid (pH 6-8) 1.83 6.23 -4.81 2 3 0 42 267.442 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cycloheptyl-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclohep…

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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 6.58 -42.96 3 3 1 44 268.45 3 ↓
Mid Mid (pH 6-8) 1.83 6.25 -5.78 2 3 0 42 267.442 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cycloheptyl-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-cycloheptyl-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) 2.93 5.49 -44.3 3 3 1 44 240.396 3 ↓
Mid Mid (pH 6-8) 2.93 5.09 -5.44 2 3 0 42 239.388 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-cycloheptyl-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-cyclohep…

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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) 1.61 6.06 -42.9 3 3 1 44 254.423 3 ↓
Mid Mid (pH 6-8) 1.61 5.73 -5.29 2 3 0 42 253.415 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-cycloheptyl-N-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-cyclohep…

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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) 1.61 6.06 -42.87 3 3 1 44 254.423 3 ↓
Mid Mid (pH 6-8) 1.61 5.73 -4.45 2 3 0 42 253.415 3 ↓

Analogs

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Popular Name: N-cycloheptyl-N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-cycloheptyl-N,4-dimethyl-5-[(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) 4.08 8.28 -38.03 2 3 1 33 282.477 4 ↓
Hi High (pH 8-9.5) 4.08 7 -5.44 1 3 0 28 281.469 4 ↓

Analogs

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Popular Name: N-cycloheptyl-N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-cycloheptyl-N,4-dimethyl-5-[(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) 4.08 8.3 -37.78 2 3 1 33 282.477 4 ↓
Hi High (pH 8-9.5) 4.08 6.99 -4.8 1 3 0 28 281.469 4 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-thiazol-2-amine N-cycloheptyl-5-[(1S)-1-(ethylam…

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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) 4.46 9.11 -36.61 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.46 7.93 -5.32 1 3 0 28 295.496 5 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-thiazol-2-amine N-cycloheptyl-5-[(1R)-1-(ethylam…

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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) 4.46 9.13 -36.47 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.46 7.93 -4.55 1 3 0 28 295.496 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-cycloheptyl-N-methyl-5-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.30 7.26 -38.81 2 3 1 33 254.423 4 ↓
Hi High (pH 8-9.5) 3.30 5.82 -4.84 1 3 0 28 253.415 4 ↓

Analogs

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Popular Name: N-cycloheptyl-5-(ethylaminomethyl)-N-methyl-thiazol-2-amine N-cycloheptyl-5-(ethylaminomethy…

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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) 3.68 8.12 -37.93 2 3 1 33 268.45 5 ↓
Hi High (pH 8-9.5) 3.68 6.75 -4.69 1 3 0 28 267.442 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-(propylaminomethyl)thiazol-2-amine N-cycloheptyl-N-methyl-5-(propyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 8.88 -38.64 2 3 1 33 282.477 6 ↓
Hi High (pH 8-9.5) 4.18 7.52 -4.57 1 3 0 28 281.469 6 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(isopropylamino)methyl]-N-methyl-thiazol-2-amine N-cycloheptyl-5-[(isopropylamino…

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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) 3.98 8.66 -36.29 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 3.98 7.45 -4.49 1 3 0 28 281.469 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-cycloheptyl-N-methyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-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) 4.49 9.08 -34.45 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.49 7.83 -4.44 1 3 0 28 295.496 5 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(isobutylamino)methyl]-N-methyl-thiazol-2-amine N-cycloheptyl-5-[(isobutylamino)…

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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) 4.42 9.57 -38.61 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.42 8.2 -4.41 1 3 0 28 295.496 6 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(2-methoxyethylamino)methyl]-N-methyl-thiazol-2-amine N-cycloheptyl-5-[(2-methoxyethyl…

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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 7.26 -38.42 2 4 1 42 298.476 7 ↓
Mid Mid (pH 6-8) 3.29 5.83 -6.51 1 4 0 37 297.468 7 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-cycloheptyl-N-methyl-5-[(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) 3.86 7.81 -37.61 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.86 6.53 -4.24 1 3 0 28 267.442 4 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-cycloheptyl-N-methyl-5-[(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) 3.86 7.81 -37.62 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.86 6.55 -5.03 1 3 0 28 267.442 4 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(1S)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-cycloheptyl-5-[(1S)-1-(ethylam…

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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) 4.24 8.65 -36.2 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 4.24 7.48 -4.84 1 3 0 28 281.469 5 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(1R)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-cycloheptyl-5-[(1R)-1-(ethylam…

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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) 4.24 8.65 -36.18 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 4.24 7.45 -4 1 3 0 28 281.469 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-cycloheptyl-N-methyl-5-[(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) 4.74 9.41 -36.85 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.74 8.24 -4.76 1 3 0 28 295.496 6 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-cycloheptyl-N-methyl-5-[(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) 4.74 9.41 -36.85 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.74 8.2 -3.86 1 3 0 28 295.496 6 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]thiazole-5-carboxylic 2-[cycloheptyl(methyl)amino]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) 3.32 8.05 -51.34 0 4 -1 56 253.347 3 ↓
Lo Low (pH 4.5-6) 3.32 8.44 -39.52 1 4 0 58 254.355 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[cycloheptyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-[cycloheptyl(methyl)am…

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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) 3.53 5.95 -7.6 1 3 0 36 268.426 3 ↓
Lo Low (pH 4.5-6) 3.53 6.3 -24.15 2 3 1 38 269.434 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[cycloheptyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanol (1S)-1-[2-[cycloheptyl(methyl)am…

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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) 3.53 5.96 -7.61 1 3 0 36 268.426 3 ↓
Lo Low (pH 4.5-6) 3.53 6.32 -24.22 2 3 1 38 269.434 3 ↓

Analogs

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Popular Name: [2-[cycloheptyl(methyl)amino]thiazol-5-yl]methanol [2-[cycloheptyl(methyl)amino]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) 3.08 4.75 -7.61 1 3 0 36 240.372 3 ↓
Lo Low (pH 4.5-6) 3.08 5.14 -25.5 2 3 1 38 241.38 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[cycloheptyl(methyl)amino]thiazol-5-yl]ethanol (1S)-1-[2-[cycloheptyl(methyl)am…

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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 5.49 -5.79 1 3 0 36 254.399 3 ↓
Lo Low (pH 4.5-6) 3.31 5.87 -26.09 2 3 1 38 255.407 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[cycloheptyl(methyl)amino]thiazol-5-yl]ethanol (1R)-1-[2-[cycloheptyl(methyl)am…

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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 5.48 -5.85 1 3 0 36 254.399 3 ↓
Lo Low (pH 4.5-6) 3.31 5.85 -26.11 2 3 1 38 255.407 3 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]-4-methyl-thiazole-5-carbaldehyde 2-[cycloheptyl(methyl)amino]-4-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) 3.75 7.57 -8.87 0 3 0 33 252.383 3 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]-4-ethyl-thiazole-5-carbaldehyde 2-[cycloheptyl(methyl)amino]-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) 4.33 8.3 -8.3 0 3 0 33 266.41 4 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]-4-methyl-thiazole-5-carboxylic 2-[cycloheptyl(methyl)amino]-4-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) 3.54 8.38 -50.75 0 4 -1 56 267.374 3 ↓
Mid Mid (pH 6-8) 3.54 8.79 -38.16 1 4 0 58 268.382 3 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]-4-ethyl-thiazole-5-carboxylic 2-[cycloheptyl(methyl)amino]-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) 4.11 9.1 -51.17 0 4 -1 56 281.401 4 ↓
Mid Mid (pH 6-8) 4.11 9.47 -38.03 1 4 0 58 282.409 4 ↓

Analogs

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Popular Name: 2-[cycloheptyl(methyl)amino]-4-propyl-thiazole-5-carboxylic 2-[cycloheptyl(methyl)amino]-4-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) 4.61 9.88 -51.71 0 4 -1 56 295.428 5 ↓
Mid Mid (pH 6-8) 4.61 10.24 -38.15 1 4 0 58 296.436 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cycloheptyl-N,4-dimethyl-thiazol-2-amine 5-(aminomethyl)-N-cycloheptyl-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) 3.15 5.9 -44.87 3 3 1 44 254.423 3 ↓
Mid Mid (pH 6-8) 3.15 5.5 -5.74 2 3 0 42 253.415 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-4-tert-butyl-N-cycloheptyl-N-methyl-thiazol-2-amine 5-(aminomethyl)-4-tert-butyl-N-c…

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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) 4.87 7.71 -45.01 3 3 1 44 296.504 4 ↓
Mid Mid (pH 6-8) 4.87 7.4 -4.83 2 3 0 42 295.496 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cycloheptyl-4-ethyl-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-cycloheptyl-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) 3.72 6.69 -45.02 3 3 1 44 268.45 4 ↓
Mid Mid (pH 6-8) 3.72 6.16 -4.9 2 3 0 42 267.442 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propyl-thiazol-2-amine 5-(aminomethyl)-N-cycloheptyl-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) 4.22 7.39 -45.51 3 3 1 44 282.477 5 ↓
Mid Mid (pH 6-8) 4.22 6.94 -4.85 2 3 0 42 281.469 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N,4-dimethyl-5-(methylaminomethyl)thiazol-2-amine N-cycloheptyl-N,4-dimethyl-5-(me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 7.77 -39.38 2 3 1 33 268.45 4 ↓
Hi High (pH 8-9.5) 3.52 6.33 -5.2 1 3 0 28 267.442 4 ↓

Analogs

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Popular Name: N-cycloheptyl-5-(ethylaminomethyl)-N,4-dimethyl-thiazol-2-amine N-cycloheptyl-5-(ethylaminomethy…

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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) 3.90 8.66 -38.49 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 3.90 7.29 -4.85 1 3 0 28 281.469 5 ↓

Analogs

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Popular Name: N-cycloheptyl-N,4-dimethyl-5-(propylaminomethyl)thiazol-2-amine N-cycloheptyl-N,4-dimethyl-5-(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) 4.40 9.41 -39.19 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.40 8.05 -4.73 1 3 0 28 295.496 6 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(isopropylamino)methyl]-N,4-dimethyl-thiazol-2-amine N-cycloheptyl-5-[(isopropylamino…

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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) 4.20 9.15 -36.67 2 3 1 33 296.504 5 ↓
Hi High (pH 8-9.5) 4.20 7.97 -4.85 1 3 0 28 295.496 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-cycloheptyl-N,4-dimethyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-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) 4.71 9.57 -34.68 2 3 1 33 310.531 5 ↓
Hi High (pH 8-9.5) 4.71 8.36 -4.73 1 3 0 28 309.523 5 ↓

Analogs

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Popular Name: N-cycloheptyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-thiazol-2-amine N-cycloheptyl-5-[(2-methoxyethyl…

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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 7.77 -38.96 2 4 1 42 312.503 7 ↓
Mid Mid (pH 6-8) 3.51 6.34 -6.95 1 4 0 37 311.495 7 ↓

Analogs

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Popular Name: 4-tert-butyl-N-cycloheptyl-N-methyl-5-(methylaminomethyl)thiazol-2-amine 4-tert-butyl-N-cycloheptyl-N-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) 5.25 9.61 -39.09 2 3 1 33 310.531 5 ↓
Hi High (pH 8-9.5) 5.25 8.2 -4.26 1 3 0 28 309.523 5 ↓

Analogs

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Popular Name: N-cycloheptyl-4-ethyl-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-cycloheptyl-4-ethyl-N-methyl-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) 4.10 8.56 -39.34 2 3 1 33 282.477 5 ↓
Hi High (pH 8-9.5) 4.10 7.05 -4.65 1 3 0 28 281.469 5 ↓

Analogs

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Popular Name: N-cycloheptyl-4-ethyl-5-(ethylaminomethyl)-N-methyl-thiazol-2-amine N-cycloheptyl-4-ethyl-5-(ethylam…

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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) 4.47 9.43 -38.19 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.47 7.98 -4.44 1 3 0 28 295.496 6 ↓

Analogs

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Popular Name: N-cycloheptyl-N-methyl-5-(methylaminomethyl)-4-propyl-thiazol-2-amine N-cycloheptyl-N-methyl-5-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.60 9.34 -39.64 2 3 1 33 296.504 6 ↓
Hi High (pH 8-9.5) 4.60 7.82 -4.5 1 3 0 28 295.496 6 ↓

Parameters Provided:

ring.id = 33018
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 = 33018 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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