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Analogs

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Popular Name: 2-[3-furylmethyl(methyl)amino]thiazole-5-carbaldehyde 2-[3-furylmethyl(methyl)amino]th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 5.19 -9.7 0 4 0 46 222.269 4 ↓

Analogs

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Popular Name: 1-[2-[3-furylmethyl(methyl)amino]thiazol-5-yl]ethanone 1-[2-[3-furylmethyl(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) 1.58 5.96 -12.45 0 4 0 46 236.296 4 ↓

Analogs

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Popular Name: 1-[2-[3-furylmethyl(methyl)amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[3-furylmethyl(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) 1.80 6.51 -11.02 0 4 0 46 250.323 4 ↓

Analogs

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Popular Name: 2-[methyl-[(2-methyl-3-furyl)methyl]amino]thiazole-5-carbaldehyde 2-[methyl-[(2-methyl-3-furyl)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) 1.69 6.35 -10.69 0 4 0 46 236.296 4 ↓

Analogs

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Popular Name: 1-[2-[methyl-[(2-methyl-3-furyl)methyl]amino]thiazol-5-yl]ethanone 1-[2-[methyl-[(2-methyl-3-furyl)…

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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) 1.80 7.03 -11.65 0 4 0 46 250.323 4 ↓

Analogs

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Popular Name: 1-[4-methyl-2-[methyl-[(2-methyl-3-furyl)methyl]amino]thiazol-5-yl]ethanone 1-[4-methyl-2-[methyl-[(2-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) 2.02 7.81 -8.92 0 4 0 46 264.35 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-(3-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(3-furyl…

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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) -0.24 4.67 -45.42 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) -0.24 4.32 -8.37 2 4 0 55 251.355 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-(3-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(3-furyl…

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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) -0.24 4.67 -45.49 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) -0.24 4.33 -8.58 2 4 0 55 251.355 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-(aminomethyl)-N-(3-furylmethyl…

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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) 0.86 3.49 -45.78 3 4 1 57 224.309 4 ↓
Mid Mid (pH 6-8) 0.86 3.09 -6.97 2 4 0 55 223.301 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-(3-furyl…

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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) -0.46 4.16 -45.46 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) -0.46 3.82 -8.03 2 4 0 55 237.328 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-(3-furyl…

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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) -0.46 4.16 -45.13 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) -0.46 3.82 -8.31 2 4 0 55 237.328 4 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N,4-dimeth…

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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) -0.01 5.98 -44.13 3 4 1 57 266.39 4 ↓
Mid Mid (pH 6-8) -0.01 5.64 -6.64 2 4 0 55 265.382 4 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N,4-dimeth…

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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) -0.01 5.98 -44.17 3 4 1 57 266.39 4 ↓
Mid Mid (pH 6-8) -0.01 5.66 -5.8 2 4 0 55 265.382 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-(aminomethyl)-N-methyl-N-[(2-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) 1.08 4.66 -47.19 3 4 1 57 238.336 4 ↓
Mid Mid (pH 6-8) 1.08 4.25 -7.98 2 4 0 55 237.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-aminoethyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-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) -0.24 5.33 -46.13 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) -0.24 4.99 -7.09 2 4 0 55 251.355 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-1-aminoethyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-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) -0.24 5.33 -45.87 3 4 1 57 252.363 4 ↓
Mid Mid (pH 6-8) -0.24 4.99 -7.94 2 4 0 55 251.355 4 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N,4-dimethyl-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) 2.02 6.38 -40.16 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.02 5.1 -8.38 1 4 0 41 265.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-furylmethyl)-N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N,4-dimethyl-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) 2.02 6.4 -40.29 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.02 5.09 -7.64 1 4 0 41 265.382 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-(3-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-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) 2.39 7.21 -39.11 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.39 6.03 -8.09 1 4 0 41 279.409 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-(3-furylmethyl)-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-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) 2.39 7.23 -38.64 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.39 6.02 -7.4 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N,4-dimethyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N,4-dimethyl-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) 2.90 7.97 -39.74 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 2.90 6.79 -7.94 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N,4-dimethyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N,4-dimethyl-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) 2.90 7.99 -39.2 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 2.90 6.78 -7.25 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 1.24 5.36 -41.45 2 4 1 46 238.336 5 ↓
Hi High (pH 8-9.5) 1.24 3.92 -7.81 1 4 0 41 237.328 5 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-(ethylaminomethyl)-N-(3-furylm…

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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 6.22 -40.52 2 4 1 46 252.363 6 ↓
Hi High (pH 8-9.5) 1.61 4.85 -7.65 1 4 0 41 251.355 6 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-(propylaminomethyl)thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 2.12 6.98 -41.31 2 4 1 46 266.39 7 ↓
Hi High (pH 8-9.5) 2.12 5.62 -7.5 1 4 0 41 265.382 7 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-5-[(isopropylamino)methyl]-N-methyl-thiazol-2-amine N-(3-furylmethyl)-5-[(isopropyla…

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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) 1.91 6.76 -38.97 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 1.91 5.52 -7.49 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-(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) 2.42 7.18 -37.08 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.42 5.93 -7.33 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-5-[(isobutylamino)methyl]-N-methyl-thiazol-2-amine N-(3-furylmethyl)-5-[(isobutylam…

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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) 2.36 7.67 -41.23 2 4 1 46 280.417 7 ↓
Hi High (pH 8-9.5) 2.36 6.45 -7.26 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-thiazol-2-amine N-(3-furylmethyl)-5-[(2-methoxye…

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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) 1.22 5.36 -40.07 2 5 1 55 282.389 8 ↓
Mid Mid (pH 6-8) 1.22 3.93 -8.2 1 5 0 51 281.381 8 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 1.80 5.87 -40.24 2 4 1 46 252.363 5 ↓
Hi High (pH 8-9.5) 1.80 4.57 -7.34 1 4 0 41 251.355 5 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 1.80 5.87 -39.93 2 4 1 46 252.363 5 ↓
Hi High (pH 8-9.5) 1.80 4.6 -8.05 1 4 0 41 251.355 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-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) 2.17 6.72 -38.89 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 2.17 5.54 -7.75 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N-(3-furylmethyl)-N-methyl-thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-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) 2.17 6.72 -38.55 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 2.17 5.51 -7.13 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 2.67 7.48 -39.51 2 4 1 46 280.417 7 ↓
Hi High (pH 8-9.5) 2.67 6.29 -7.65 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: N-(3-furylmethyl)-N-methyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-(3-furylmethyl)-N-methyl-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) 2.67 7.48 -39.13 2 4 1 46 280.417 7 ↓
Hi High (pH 8-9.5) 2.67 6.26 -6.96 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine N,4-dimethyl-5-[(1R)-1-(methylam…

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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) 2.24 7.68 -39 2 4 1 46 280.417 5 ↓
Hi High (pH 8-9.5) 2.24 6.41 -6.41 1 4 0 41 279.409 5 ↓

Analogs

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Popular Name: N,4-dimethyl-5-[(1S)-1-(methylamino)ethyl]-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine N,4-dimethyl-5-[(1S)-1-(methylam…

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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) 2.24 7.7 -39.05 2 4 1 46 280.417 5 ↓
Hi High (pH 8-9.5) 2.24 6.4 -5.77 1 4 0 41 279.409 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1S)-1-(ethylamino)ethyl]-N,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) 2.62 8.54 -37.86 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.62 7.36 -6.1 1 4 0 41 293.436 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(1R)-1-(ethylamino)ethyl]-N,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) 2.62 8.56 -37.55 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.62 7.35 -5.53 1 4 0 41 293.436 6 ↓

Analogs

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Popular Name: N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(2-methyl-3-fury…

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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) 3.12 9.3 -38.48 2 4 1 46 308.471 7 ↓
Hi High (pH 8-9.5) 3.12 8.12 -5.98 1 4 0 41 307.463 7 ↓

Analogs

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Popular Name: N,4-dimethyl-N-[(2-methyl-3-furyl)methyl]-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N,4-dimethyl-N-[(2-methyl-3-fury…

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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) 3.12 9.31 -38.12 2 4 1 46 308.471 7 ↓
Hi High (pH 8-9.5) 3.12 8.11 -5.36 1 4 0 41 307.463 7 ↓

Analogs

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Popular Name: N-methyl-5-(methylaminomethyl)-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine N-methyl-5-(methylaminomethyl)-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) 1.46 6.53 -41.73 2 4 1 46 252.363 5 ↓
Hi High (pH 8-9.5) 1.46 5.08 -7.39 1 4 0 41 251.355 5 ↓

Analogs

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Popular Name: 5-(ethylaminomethyl)-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-(ethylaminomethyl)-N-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) 1.83 7.58 -39.95 2 4 1 46 266.39 6 ↓
Hi High (pH 8-9.5) 1.83 6.21 -5.6 1 4 0 41 265.382 6 ↓

Analogs

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Popular Name: N-methyl-N-[(2-methyl-3-furyl)methyl]-5-(propylaminomethyl)thiazol-2-amine N-methyl-N-[(2-methyl-3-furyl)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) 2.34 8.32 -40.75 2 4 1 46 280.417 7 ↓
Hi High (pH 8-9.5) 2.34 6.97 -5.49 1 4 0 41 279.409 7 ↓

Analogs

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Popular Name: 5-[(isopropylamino)methyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(isopropylamino)methyl]-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) 2.13 7.92 -39.06 2 4 1 46 280.417 6 ↓
Hi High (pH 8-9.5) 2.13 6.71 -7.03 1 4 0 41 279.409 6 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(tert-butylamino)methyl]-N-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) 2.64 8.33 -37.37 2 4 1 46 294.444 6 ↓
Hi High (pH 8-9.5) 2.64 7.09 -6.96 1 4 0 41 293.436 6 ↓

Analogs

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Popular Name: 5-[(isobutylamino)methyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(isobutylamino)methyl]-N-meth…

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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) 2.58 8.83 -41.54 2 4 1 46 294.444 7 ↓
Hi High (pH 8-9.5) 2.58 7.61 -6.88 1 4 0 41 293.436 7 ↓

Analogs

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Popular Name: 5-[(2-methoxyethylamino)methyl]-N-methyl-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine 5-[(2-methoxyethylamino)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) 1.44 6.52 -41.29 2 5 1 55 296.416 8 ↓
Mid Mid (pH 6-8) 1.44 5.1 -9.04 1 5 0 51 295.408 8 ↓

Analogs

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Popular Name: N-methyl-5-[(1R)-1-(methylamino)ethyl]-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine N-methyl-5-[(1R)-1-(methylamino)…

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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) 2.02 7.05 -40.83 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.02 5.77 -7.58 1 4 0 41 265.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-5-[(1S)-1-(methylamino)ethyl]-N-[(2-methyl-3-furyl)methyl]thiazol-2-amine N-methyl-5-[(1S)-1-(methylamino)…

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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) 2.02 7.06 -40.65 2 4 1 46 266.39 5 ↓
Hi High (pH 8-9.5) 2.02 5.73 -6.94 1 4 0 41 265.382 5 ↓

Parameters Provided:

ring.id = 157606
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 = 157606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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