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Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-N'-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N-(2-methoxyethyl)-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) 1.99 7.15 -90.79 3 4 2 40 295.452 8 ↓
Mid Mid (pH 6-8) 1.99 4.79 -29.95 2 4 1 38 294.444 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-N'-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]ethane-1,2-diamine N-(2-methoxyethyl)-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) 1.99 7.16 -91.05 3 4 2 40 295.452 8 ↓
Mid Mid (pH 6-8) 1.99 4.74 -29.49 2 4 1 38 294.444 8 ↓

Analogs

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Popular Name: (5S)-N-[(1R)-1,4-dimethylpentyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1R)-1,4-dimethylpentyl]…

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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) 4.23 9.7 -27.56 2 2 1 26 277.457 6 ↓

Analogs

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Popular Name: (5S)-N-[(1S)-1,4-dimethylpentyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(1S)-1,4-dimethylpentyl]…

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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) 4.23 9.7 -27.57 2 2 1 26 277.457 6 ↓

Analogs

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Popular Name: (5R)-N-[(1R)-1,4-dimethylpentyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1R)-1,4-dimethylpentyl]…

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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) 4.23 9.7 -27.59 2 2 1 26 277.457 6 ↓

Analogs

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Popular Name: (5R)-N-[(1S)-1,4-dimethylpentyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(1S)-1,4-dimethylpentyl]…

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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) 4.23 9.7 -27.56 2 2 1 26 277.457 6 ↓

Analogs

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Popular Name: (5R)-5-phenyl-N-(3,3,3-trifluoropropyl)-4,5-dihydrothiazol-2-amine (5R)-5-phenyl-N-(3,3,3-trifluoro…

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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) 3.17 7.18 -33.2 2 2 1 26 275.319 5 ↓
Hi High (pH 8-9.5) 3.17 7.1 -32.87 2 2 1 26 275.319 4 ↓

Analogs

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Popular Name: (5S)-5-phenyl-N-(3,3,3-trifluoropropyl)-4,5-dihydrothiazol-2-amine (5S)-5-phenyl-N-(3,3,3-trifluoro…

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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) 3.17 7.18 -33.2 2 2 1 26 275.319 5 ↓
Hi High (pH 8-9.5) 3.17 7.12 -32.72 2 2 1 26 275.319 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.55 7.8 -29.53 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.55 7.01 -11.18 1 4 0 51 278.377 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.55 7.8 -29.73 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.55 7.01 -10.65 1 4 0 51 278.377 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.55 7.8 -29.69 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.55 6.99 -10.62 1 4 0 51 278.377 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.55 7.8 -29.52 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.55 6.99 -11.13 1 4 0 51 278.377 5 ↓

Analogs

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Popular Name: (5S)-N-[(2S)-3-methoxy-2-methyl-propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(2S)-3-methoxy-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) 2.71 6.62 -29.71 2 3 1 35 265.402 6 ↓

Analogs

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Popular Name: (5S)-N-[(2R)-3-methoxy-2-methyl-propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5S)-N-[(2R)-3-methoxy-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) 2.71 6.62 -29.64 2 3 1 35 265.402 6 ↓

Analogs

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Popular Name: (5R)-N-[(2S)-3-methoxy-2-methyl-propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(2S)-3-methoxy-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) 2.71 6.61 -29.72 2 3 1 35 265.402 6 ↓

Analogs

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Popular Name: (5R)-N-[(2R)-3-methoxy-2-methyl-propyl]-5-phenyl-4,5-dihydrothiazol-2-amine (5R)-N-[(2R)-3-methoxy-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) 2.71 6.61 -29.73 2 3 1 35 265.402 6 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,4-diamine N,N-dimethyl-N'-[(5S)-5-phenyl-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) 2.55 8.89 -79.51 3 3 2 30 279.453 7 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,4-diamine N,N-dimethyl-N'-[(5R)-5-phenyl-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) 2.55 8.88 -79.49 3 3 2 30 279.453 7 ↓

Analogs

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Popular Name: N-isopropyl-N-methyl-N'-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,4-diamine N-isopropyl-N-methyl-N'-[(5S)-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 10.08 -78.86 3 3 2 30 307.507 8 ↓

Analogs

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Popular Name: N-isopropyl-N-methyl-N'-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,4-diamine N-isopropyl-N-methyl-N'-[(5R)-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 10.07 -78.85 3 3 2 30 307.507 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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 7.73 -33.75 2 4 1 52 279.385 7 ↓
Hi High (pH 8-9.5) 2.18 7.66 -32.5 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.18 6.77 -7.63 1 4 0 51 278.377 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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 7.72 -33.79 2 4 1 52 279.385 7 ↓
Hi High (pH 8-9.5) 2.18 7.68 -32.23 2 4 1 52 279.385 6 ↓
Hi High (pH 8-9.5) 2.18 6.77 -7.75 1 4 0 51 278.377 6 ↓

Analogs

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Popular Name: (2R)-N1,N1-diethyl-N2-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]propane-1,2-diamine (2R)-N1,N1-diethyl-N2-[(5S)-5-ph…

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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 9.43 -92.28 3 3 2 30 293.48 7 ↓
Hi High (pH 8-9.5) 3.09 7.47 -26 2 3 1 29 292.472 6 ↓
Mid Mid (pH 6-8) 3.09 9.46 -95.38 3 3 2 30 293.48 6 ↓

Analogs

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Popular Name: (2S)-N1,N1-diethyl-N2-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(5S)-5-ph…

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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 9.71 -91 3 3 2 30 293.48 7 ↓
Hi High (pH 8-9.5) 3.09 7.16 -26.23 2 3 1 29 292.472 6 ↓
Mid Mid (pH 6-8) 3.09 9.67 -94.23 3 3 2 30 293.48 6 ↓

Analogs

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Popular Name: (2R)-N1,N1-diethyl-N2-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]propane-1,2-diamine (2R)-N1,N1-diethyl-N2-[(5R)-5-ph…

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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 9.43 -91.88 3 3 2 30 293.48 7 ↓
Hi High (pH 8-9.5) 3.09 7.48 -26.15 2 3 1 29 292.472 6 ↓
Mid Mid (pH 6-8) 3.09 9.42 -94.2 3 3 2 30 293.48 6 ↓

Analogs

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Popular Name: (2S)-N1,N1-diethyl-N2-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(5R)-5-ph…

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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 9.7 -91.43 3 3 2 30 293.48 7 ↓
Hi High (pH 8-9.5) 3.09 7.18 -25.99 2 3 1 29 292.472 6 ↓
Mid Mid (pH 6-8) 3.09 9.71 -93.92 3 3 2 30 293.48 6 ↓

Analogs

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Popular Name: (2S)-N1,N1,4-trimethyl-N2-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]pentane-1,2-diamine (2S)-N1,N1,4-trimethyl-N2-[(5S)-…

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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) 3.65 10.28 -95.43 3 3 2 30 307.507 7 ↓
Hi High (pH 8-9.5) 3.65 7.65 -26.44 2 3 1 29 306.499 6 ↓
Hi High (pH 8-9.5) 3.65 7.69 -26.4 2 3 1 29 306.499 7 ↓

Analogs

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Popular Name: (2R)-N1,N1,4-trimethyl-N2-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]pentane-1,2-diamine (2R)-N1,N1,4-trimethyl-N2-[(5S)-…

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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) 3.65 10.22 -96.64 3 3 2 30 307.507 7 ↓
Hi High (pH 8-9.5) 3.65 8.4 -26.09 2 3 1 29 306.499 6 ↓
Hi High (pH 8-9.5) 3.65 7.97 -26.36 2 3 1 29 306.499 7 ↓

Analogs

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Popular Name: (2S)-N1,N1,4-trimethyl-N2-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]pentane-1,2-diamine (2S)-N1,N1,4-trimethyl-N2-[(5R)-…

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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) 3.65 10.28 -95.71 3 3 2 30 307.507 7 ↓
Hi High (pH 8-9.5) 3.65 7.69 -26.09 2 3 1 29 306.499 6 ↓
Hi High (pH 8-9.5) 3.65 7.7 -26.24 2 3 1 29 306.499 7 ↓

Analogs

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Popular Name: (2R)-N1,N1,4-trimethyl-N2-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]pentane-1,2-diamine (2R)-N1,N1,4-trimethyl-N2-[(5R)-…

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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) 3.65 10.22 -96.23 3 3 2 30 307.507 7 ↓
Hi High (pH 8-9.5) 3.65 8.28 -26.14 2 3 1 29 306.499 6 ↓
Hi High (pH 8-9.5) 3.65 7.96 -26.45 2 3 1 29 306.499 7 ↓

Analogs

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Popular Name: (3S)-N1,N1-dimethyl-N3-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,3-diamine (3S)-N1,N1-dimethyl-N3-[(5S)-5-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) 2.61 8.94 -87.44 3 3 2 30 279.453 6 ↓

Analogs

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Popular Name: (3R)-N1,N1-dimethyl-N3-[(5S)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,3-diamine (3R)-N1,N1-dimethyl-N3-[(5S)-5-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) 2.61 8.94 -87.86 3 3 2 30 279.453 6 ↓

Analogs

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Popular Name: (3S)-N1,N1-dimethyl-N3-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,3-diamine (3S)-N1,N1-dimethyl-N3-[(5R)-5-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) 2.61 8.94 -87.86 3 3 2 30 279.453 6 ↓

Analogs

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Popular Name: (3R)-N1,N1-dimethyl-N3-[(5R)-5-phenyl-4,5-dihydrothiazol-2-yl]butane-1,3-diamine (3R)-N1,N1-dimethyl-N3-[(5R)-5-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) 2.61 8.94 -87.45 3 3 2 30 279.453 6 ↓

Parameters Provided:

ring.id = 212956
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 212956 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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