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Analogs

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Popular Name: (7R)-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-2-(2-thienylmethyl)-4,5,6,7…

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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) 1.01 5.09 -48.87 3 2 1 41 251.4 2 ↓
Mid Mid (pH 6-8) 1.01 4.75 -6.71 2 2 0 39 250.392 2 ↓

Analogs

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Popular Name: (7S)-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-2-(2-thienylmethyl)-4,5,6,7…

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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) 1.01 5.09 -48.29 3 2 1 41 251.4 2 ↓
Mid Mid (pH 6-8) 1.01 4.76 -5.66 2 2 0 39 250.392 2 ↓

Analogs

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Popular Name: (7R)-N-methyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-methyl-2-(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) 3.26 6.83 -43.01 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 3.26 5.43 -5.59 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: (7S)-N-methyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-methyl-2-(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) 3.26 6.83 -42.41 2 2 1 29 265.427 3 ↓
Hi High (pH 8-9.5) 3.26 5.41 -6.97 1 2 0 25 264.419 3 ↓

Analogs

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Popular Name: (7R)-N-ethyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-ethyl-2-(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) 3.64 7.68 -41.46 2 2 1 29 279.454 4 ↓
Hi High (pH 8-9.5) 3.64 6.35 -5.36 1 2 0 25 278.446 4 ↓

Analogs

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Popular Name: (7S)-N-ethyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-ethyl-2-(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) 3.64 7.68 -40.94 2 2 1 29 279.454 4 ↓
Hi High (pH 8-9.5) 3.64 6.33 -6.74 1 2 0 25 278.446 4 ↓

Analogs

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Popular Name: (7R)-N-propyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7R)-N-propyl-2-(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) 4.14 8.44 -42.09 2 2 1 29 293.481 5 ↓
Hi High (pH 8-9.5) 4.14 7.11 -5.29 1 2 0 25 292.473 5 ↓

Analogs

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Popular Name: (7S)-N-propyl-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (7S)-N-propyl-2-(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) 4.14 8.44 -41.53 2 2 1 29 293.481 5 ↓
Hi High (pH 8-9.5) 4.14 7.1 -6.68 1 2 0 25 292.473 5 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-2-(2-thienylme…

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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) 1.90 5.96 -49.56 3 2 1 41 279.454 2 ↓
Mid Mid (pH 6-8) 1.90 5.63 -6.37 2 2 0 39 278.446 2 ↓

Analogs

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Popular Name: (7S)-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-5,5-dimethyl-2-(2-thienylme…

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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) 1.90 5.96 -48.8 3 2 1 41 279.454 2 ↓
Mid Mid (pH 6-8) 1.90 5.63 -5.29 2 2 0 39 278.446 2 ↓

Analogs

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Popular Name: (7R)-N,5,5-trimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N,5,5-trimethyl-2-(2-thieny…

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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) 4.15 7.72 -43.44 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 4.15 6.3 -6.49 1 2 0 25 292.473 3 ↓

Analogs

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Popular Name: (7S)-N,5,5-trimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N,5,5-trimethyl-2-(2-thieny…

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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) 4.15 7.72 -42.85 2 2 1 29 293.481 3 ↓
Hi High (pH 8-9.5) 4.15 6.31 -5.17 1 2 0 25 292.473 3 ↓

Analogs

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Popular Name: (7R)-N-ethyl-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-N-ethyl-5,5-dimethyl-2-(2-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) 4.53 8.57 -41.9 2 2 1 29 307.508 4 ↓
Hi High (pH 8-9.5) 4.53 7.23 -5.02 1 2 0 25 306.5 4 ↓

Analogs

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Popular Name: (7S)-N-ethyl-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-N-ethyl-5,5-dimethyl-2-(2-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) 4.53 8.57 -41.23 2 2 1 29 307.508 4 ↓
Hi High (pH 8-9.5) 4.53 7.22 -6.37 1 2 0 25 306.5 4 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-N-propyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7R)-5,5-dimethyl-N-propyl-2-(2-…

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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) 5.03 9.33 -42.49 2 2 1 29 321.535 5 ↓
Hi High (pH 8-9.5) 5.03 7.99 -4.97 1 2 0 25 320.527 5 ↓

Analogs

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Popular Name: (7S)-5,5-dimethyl-N-propyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine (7S)-5,5-dimethyl-N-propyl-2-(2-…

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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) 5.03 9.33 -41.83 2 2 1 29 321.535 5 ↓
Hi High (pH 8-9.5) 5.03 7.98 -6.27 1 2 0 25 320.527 5 ↓

Analogs

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Popular Name: (7R)-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7R)-2-(2-thienylmethyl)-4,5,6,7…

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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 4.5 -7.14 1 2 0 33 251.376 2 ↓

Analogs

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Popular Name: (7S)-2-(2-thienylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (7S)-2-(2-thienylmethyl)-4,5,6,7…

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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 4.5 -7.35 1 2 0 33 251.376 2 ↓

Analogs

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Popular Name: (7R)-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7R)-5,5-dimethyl-2-(2-thienylme…

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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) 3.60 5.41 -6.73 1 2 0 33 279.43 2 ↓

Analogs

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Popular Name: (7S)-5,5-dimethyl-2-(2-thienylmethyl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol (7S)-5,5-dimethyl-2-(2-thienylme…

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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) 3.60 5.41 -6.88 1 2 0 33 279.43 2 ↓

Analogs

3708714
3708714

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Popular Name: (S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methanamine (S)-4,5,6,7-tetrahydro-1,3-benzo…

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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) 2.70 4.75 -5.63 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.70 5.11 -38.87 3 2 1 41 251.4 2 ↓

Analogs

3708714
3708714

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Popular Name: (R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methanamine (R)-4,5,6,7-tetrahydro-1,3-benzo…

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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) 2.70 4.75 -5.29 2 2 0 39 250.392 2 ↓
Mid Mid (pH 6-8) 2.70 5.11 -38.88 3 2 1 41 251.4 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-thienyl)methanamine (1S)-N-methyl-1-(4,5,6,7-tetrahy…

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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 5.52 -6.39 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.08 6.84 -33.91 2 2 1 29 265.427 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(2-thienyl)methanamine (1R)-N-methyl-1-(4,5,6,7-tetrahy…

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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 5.51 -5.91 1 2 0 25 264.419 3 ↓
Mid Mid (pH 6-8) 3.08 6.82 -34.11 2 2 1 29 265.427 3 ↓

Analogs

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Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]ethanamine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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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) 3.45 6.49 -5.66 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.45 7.69 -32.24 2 2 1 29 279.454 4 ↓

Analogs

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Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]ethanamine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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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) 3.45 6.44 -5.63 1 2 0 25 278.446 4 ↓
Mid Mid (pH 6-8) 3.45 7.69 -32.22 2 2 1 29 279.454 4 ↓

Analogs

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Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]propan-1-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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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) 3.95 7.26 -5.52 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 3.95 8.44 -32.55 2 2 1 29 293.481 5 ↓

Analogs

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Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]propan-1-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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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) 3.95 7.2 -5.47 1 2 0 25 292.473 5 ↓
Mid Mid (pH 6-8) 3.95 8.44 -32.57 2 2 1 29 293.481 5 ↓

Analogs

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Popular Name: N-[(S)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]propan-2-amine N-[(S)-4,5,6,7-tetrahydro-1,3-be…

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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 7.2 -5.5 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.75 8.2 -29.61 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: N-[(R)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(2-thienyl)methyl]propan-2-amine N-[(R)-4,5,6,7-tetrahydro-1,3-be…

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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 7.26 -4.82 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.75 8.22 -29.56 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: (S)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (S)-(3-methyl-2-thienyl)-(4,5,6,…

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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 5.3 -5.51 2 2 0 39 264.419 2 ↓
Mid Mid (pH 6-8) 3.08 5.64 -38.04 3 2 1 41 265.427 2 ↓

Analogs

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Popular Name: (R)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (R)-(3-methyl-2-thienyl)-(4,5,6,…

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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 5.29 -5.85 2 2 0 39 264.419 2 ↓
Mid Mid (pH 6-8) 3.08 5.63 -38.31 3 2 1 41 265.427 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(3-methyl-2-thienyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (1S)-N-methyl-1-(3-methyl-2-thie…

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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) 3.45 6.06 -6.27 1 2 0 25 278.446 3 ↓
Mid Mid (pH 6-8) 3.45 7.39 -33.29 2 2 1 29 279.454 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(3-methyl-2-thienyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (1R)-N-methyl-1-(3-methyl-2-thie…

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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) 3.45 6.06 -6.67 1 2 0 25 278.446 3 ↓
Mid Mid (pH 6-8) 3.45 7.34 -33.68 2 2 1 29 279.454 3 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine N-[(S)-(3-methyl-2-thienyl)-(4,5…

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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) 3.83 7.01 -6.42 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.83 8.25 -31.53 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine N-[(R)-(3-methyl-2-thienyl)-(4,5…

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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) 3.83 6.99 -6.01 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.83 8.24 -31.72 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(S)-(3-methyl-2-thienyl)-(4,5…

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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) 4.33 7.81 -5.79 1 2 0 25 306.5 5 ↓
Mid Mid (pH 6-8) 4.33 9 -31.84 2 2 1 29 307.508 5 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(R)-(3-methyl-2-thienyl)-(4,5…

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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) 4.33 7.75 -5.82 1 2 0 25 306.5 5 ↓
Mid Mid (pH 6-8) 4.33 9 -32.02 2 2 1 29 307.508 5 ↓

Analogs

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Popular Name: N-[(S)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(S)-(3-methyl-2-thienyl)-(4,5…

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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) 4.12 7.68 -5.77 1 2 0 25 306.5 4 ↓
Mid Mid (pH 6-8) 4.12 8.76 -28.92 2 2 1 29 307.508 4 ↓

Analogs

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Popular Name: N-[(R)-(3-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(R)-(3-methyl-2-thienyl)-(4,5…

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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) 4.12 7.6 -5.53 1 2 0 25 306.5 4 ↓
Mid Mid (pH 6-8) 4.12 8.72 -29.25 2 2 1 29 307.508 4 ↓

Analogs

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Popular Name: (S)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (S)-(5-methyl-2-thienyl)-(4,5,6,…

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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) 2.92 5.59 -5.91 2 2 0 39 264.419 2 ↓
Mid Mid (pH 6-8) 2.92 5.94 -38.7 3 2 1 41 265.427 2 ↓

Analogs

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Popular Name: (R)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (R)-(5-methyl-2-thienyl)-(4,5,6,…

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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) 2.92 5.59 -5.66 2 2 0 39 264.419 2 ↓
Mid Mid (pH 6-8) 2.92 5.93 -38.75 3 2 1 41 265.427 2 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-(5-methyl-2-thienyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (1S)-N-methyl-1-(5-methyl-2-thie…

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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 6.36 -6.2 1 2 0 25 278.446 3 ↓
Mid Mid (pH 6-8) 3.30 7.67 -33.73 2 2 1 29 279.454 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(5-methyl-2-thienyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine (1R)-N-methyl-1-(5-methyl-2-thie…

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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 6.35 -6.65 1 2 0 25 278.446 3 ↓
Mid Mid (pH 6-8) 3.30 7.67 -33.9 2 2 1 29 279.454 3 ↓

Analogs

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Popular Name: N-[(S)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine N-[(S)-(5-methyl-2-thienyl)-(4,5…

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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) 3.67 7.29 -6.4 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.67 8.52 -32.05 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: N-[(R)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine N-[(R)-(5-methyl-2-thienyl)-(4,5…

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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) 3.67 7.28 -5.98 1 2 0 25 292.473 4 ↓
Mid Mid (pH 6-8) 3.67 8.52 -32.2 2 2 1 29 293.481 4 ↓

Analogs

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Popular Name: N-[(S)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(S)-(5-methyl-2-thienyl)-(4,5…

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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) 4.18 8.05 -6.22 1 2 0 25 306.5 5 ↓
Mid Mid (pH 6-8) 4.18 9.27 -32.4 2 2 1 29 307.508 5 ↓

Analogs

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Popular Name: N-[(R)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-1-amine N-[(R)-(5-methyl-2-thienyl)-(4,5…

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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) 4.18 8.04 -5.82 1 2 0 25 306.5 5 ↓
Mid Mid (pH 6-8) 4.18 9.27 -32.51 2 2 1 29 307.508 5 ↓

Analogs

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Popular Name: N-[(S)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(S)-(5-methyl-2-thienyl)-(4,5…

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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) 3.97 8.09 -5.15 1 2 0 25 306.5 4 ↓
Mid Mid (pH 6-8) 3.97 9.05 -29.37 2 2 1 29 307.508 4 ↓

Analogs

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Popular Name: N-[(R)-(5-methyl-2-thienyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine N-[(R)-(5-methyl-2-thienyl)-(4,5…

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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) 3.97 8.02 -5.69 1 2 0 25 306.5 4 ↓
Mid Mid (pH 6-8) 3.97 9.03 -29.5 2 2 1 29 307.508 4 ↓

Parameters Provided:

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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 = 33099 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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