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

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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) 3.27 8.45 -28.32 2 2 1 26 275.422 4 ↓
Hi High (pH 8-9.5) 3.27 8.41 -28.6 2 2 1 26 275.422 3 ↓
Hi High (pH 8-9.5) 3.27 7.38 -6.67 1 2 0 24 274.414 3 ↓

Analogs

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

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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) 3.27 8.45 -28.27 2 2 1 26 275.422 4 ↓
Hi High (pH 8-9.5) 3.27 8.41 -28.54 2 2 1 26 275.422 3 ↓

Analogs

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

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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) 3.83 9.19 -27.35 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.83 8.24 -5.1 1 2 0 24 288.441 4 ↓

Analogs

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

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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) 3.83 9.19 -27.35 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.83 8.24 -5.02 1 2 0 24 288.441 4 ↓

Analogs

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

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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) 3.83 9.2 -27.35 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.83 8.24 -5.07 1 2 0 24 288.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.83 9.2 -27.32 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.83 8.24 -5.08 1 2 0 24 288.441 4 ↓

Analogs

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

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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) 4.64 9.81 -29.55 2 2 1 26 323.894 4 ↓
Hi High (pH 8-9.5) 4.64 8.87 -4.8 1 2 0 24 322.886 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(5-chloro-2-thien…

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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) 4.64 9.81 -29.49 2 2 1 26 323.894 4 ↓
Hi High (pH 8-9.5) 4.64 8.87 -4.77 1 2 0 24 322.886 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(5-chloro-2-thien…

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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) 4.64 9.82 -29.52 2 2 1 26 323.894 4 ↓
Hi High (pH 8-9.5) 4.64 8.87 -4.76 1 2 0 24 322.886 4 ↓

Analogs

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

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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) 4.64 9.82 -29.55 2 2 1 26 323.894 4 ↓
Hi High (pH 8-9.5) 4.64 8.87 -4.84 1 2 0 24 322.886 4 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-1-(5-methyl-2-thien…

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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) 4.05 10.02 -27.27 2 2 1 26 303.476 4 ↓
Hi High (pH 8-9.5) 4.05 9.08 -5.2 1 2 0 24 302.468 4 ↓

Analogs

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

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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) 4.05 10.02 -27.22 2 2 1 26 303.476 4 ↓
Hi High (pH 8-9.5) 4.05 9.07 -5.25 1 2 0 24 302.468 4 ↓

Analogs

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

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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) 4.05 10.03 -27.27 2 2 1 26 303.476 4 ↓
Hi High (pH 8-9.5) 4.05 9.08 -5.26 1 2 0 24 302.468 4 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-1-(5-methyl-2-thien…

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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) 4.05 10.03 -27.24 2 2 1 26 303.476 4 ↓
Hi High (pH 8-9.5) 4.05 9.07 -5.19 1 2 0 24 302.468 4 ↓

Analogs

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

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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) 4.34 9.29 -27.04 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.35 -4.82 1 2 0 24 302.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.34 9.29 -27.04 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.35 -4.82 1 2 0 24 302.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.34 9.29 -27.05 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.34 -4.81 1 2 0 24 302.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 4.34 9.29 -27.03 2 2 1 26 303.476 5 ↓
Hi High (pH 8-9.5) 4.34 8.34 -4.86 1 2 0 24 302.468 5 ↓

Analogs

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

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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) 4.90 10.03 -27.29 2 2 1 26 317.503 6 ↓
Hi High (pH 8-9.5) 4.90 9.09 -4.74 1 2 0 24 316.495 6 ↓

Analogs

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

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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) 4.90 10.03 -27.33 2 2 1 26 317.503 6 ↓
Hi High (pH 8-9.5) 4.90 9.09 -4.71 1 2 0 24 316.495 6 ↓

Analogs

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

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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) 4.90 10.03 -27.33 2 2 1 26 317.503 6 ↓
Hi High (pH 8-9.5) 4.90 9.08 -4.69 1 2 0 24 316.495 6 ↓

Analogs

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

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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) 4.90 10.03 -27.21 2 2 1 26 317.503 6 ↓
Hi High (pH 8-9.5) 4.90 9.08 -4.72 1 2 0 24 316.495 6 ↓

Analogs

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

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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) 4.58 9.73 -26.95 2 2 1 26 317.503 5 ↓
Hi High (pH 8-9.5) 4.58 8.79 -4.71 1 2 0 24 316.495 5 ↓

Analogs

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Popular Name: (4R)-N-[(1R)-2-methyl-1-(2-thienyl)propyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(1R)-2-methyl-1-(2-thien…

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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) 4.58 9.73 -27.05 2 2 1 26 317.503 5 ↓
Hi High (pH 8-9.5) 4.58 8.79 -4.66 1 2 0 24 316.495 5 ↓

Analogs

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Popular Name: (4S)-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(1S)-2-methyl-1-(2-thien…

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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) 4.58 9.73 -27 2 2 1 26 317.503 5 ↓
Hi High (pH 8-9.5) 4.58 8.78 -4.61 1 2 0 24 316.495 5 ↓

Analogs

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

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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) 4.58 9.73 -26.93 2 2 1 26 317.503 5 ↓
Hi High (pH 8-9.5) 4.58 8.78 -4.69 1 2 0 24 316.495 5 ↓

Analogs

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Popular Name: (4R)-N-[(5-methyl-2-thienyl)methyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4R)-N-[(5-methyl-2-thienyl)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) 3.50 9.29 -28.28 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.50 9.26 -28.52 2 2 1 26 289.449 3 ↓

Analogs

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Popular Name: (4S)-N-[(5-methyl-2-thienyl)methyl]-4-phenyl-4,5-dihydrothiazol-2-amine (4S)-N-[(5-methyl-2-thienyl)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) 3.50 9.29 -28.27 2 2 1 26 289.449 4 ↓
Hi High (pH 8-9.5) 3.50 9.27 -28.46 2 2 1 26 289.449 3 ↓

Parameters Provided:

ring.id = 330954
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 = 330954 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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