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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41201360
41201360
41201369
41201369
41201372
41201372
41201663
41201663
41201666
41201666

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 9.2 -32.64 2 2 1 29 279.473 7 ↓
Hi High (pH 8-9.5) 4.39 8.35 -4.02 1 2 0 25 278.465 7 ↓

Analogs

41201369
41201369
41201372
41201372
41201663
41201663
41201666
41201666
41201357
41201357

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.39 9.42 -32.22 2 2 1 29 279.473 7 ↓
Hi High (pH 8-9.5) 4.39 8.48 -2.77 1 2 0 25 278.465 7 ↓

Analogs

41201366
41201366
41198019
41198019
41198021
41198021

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-3-methoxy-1,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S)-3-methoxy-1,3-dimethyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.88 -30.79 2 3 1 39 309.499 6 ↓
Hi High (pH 8-9.5) 3.46 6.43 -3.04 1 3 0 34 308.491 6 ↓

Analogs

41198019
41198019
41198021
41198021
41201363
41201363

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-methoxy-1,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R)-3-methoxy-1,3-dimethyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.73 -28.44 2 3 1 39 309.499 6 ↓
Hi High (pH 8-9.5) 3.46 7.43 -4.7 1 3 0 34 308.491 6 ↓

Analogs

41201372
41201372
41201663
41201663
41201666
41201666
41201357
41201357
41201360
41201360

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.90 9.98 -32.77 2 2 1 29 293.5 8 ↓
Hi High (pH 8-9.5) 4.90 9.13 -3.98 1 2 0 25 292.492 8 ↓

Analogs

41201663
41201663
41201666
41201666
41201357
41201357
41201360
41201360
41201369
41201369

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.90 10.2 -32.4 2 2 1 29 293.5 8 ↓
Hi High (pH 8-9.5) 4.90 9.26 -2.69 1 2 0 25 292.492 8 ↓

Analogs

41201378
41201378
41201475
41201475
69382649
69382649
69382655
69382655

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,4-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]cyclopropanamine N-[(1S)-1,4-dimethyl-1-(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) 4.32 9.73 -31.56 2 2 1 29 293.5 6 ↓
Hi High (pH 8-9.5) 4.32 8.13 -4.43 1 2 0 25 292.492 6 ↓
Lo Low (pH 4.5-6) 4.32 9.51 -93.07 3 2 2 31 294.508 6 ↓

Analogs

41201475
41201475
69382649
69382649
69382655
69382655
41201375
41201375

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,4-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentyl]cyclopropanamine N-[(1R)-1,4-dimethyl-1-(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) 4.32 9.23 -30.67 2 2 1 29 293.5 6 ↓
Hi High (pH 8-9.5) 4.32 8.27 -3.61 1 2 0 25 292.492 6 ↓
Lo Low (pH 4.5-6) 4.32 9.49 -91.55 3 2 2 31 294.508 6 ↓

Analogs

41201389
41201389
41201568
41201568
41201574
41201574

Draw Identity 99% 90% 80% 70%

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

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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 8.4 -29.95 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.83 6.83 -4.61 1 2 0 25 264.438 5 ↓

Analogs

41201568
41201568
41201574
41201574
41201386
41201386

Draw Identity 99% 90% 80% 70%

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

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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 7.92 -29.32 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.83 6.98 -3.75 1 2 0 25 264.438 5 ↓

Analogs

41201395
41201395
41201561
41201561

Draw Identity 99% 90% 80% 70%

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

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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 7.64 -29.54 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.27 6.75 -4.32 1 2 0 25 250.411 4 ↓

Analogs

41201561
41201561
41201392
41201392

Draw Identity 99% 90% 80% 70%

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

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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 7.15 -29.1 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.27 6.05 -5.15 1 2 0 25 250.411 4 ↓

Analogs

41201419
41201419
41201619
41201619
41201622
41201622

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1S)-1,2-dimethyl-1-(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) 3.52 7.95 -29.84 2 2 1 29 265.446 4 ↓
Hi High (pH 8-9.5) 3.52 7.19 -3.36 1 2 0 25 264.438 4 ↓

Analogs

41201619
41201619
41201622
41201622
41201416
41201416

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1R)-1,2-dimethyl-1-(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) 3.52 7.05 -29.52 2 2 1 29 265.446 4 ↓
Hi High (pH 8-9.5) 3.52 6.81 -4.65 1 2 0 25 264.438 4 ↓

Analogs

41201483
41201483

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S)-1,3-dimethyl-1-(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) 4.05 8.44 -32.96 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.05 6.93 -3.75 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.05 8.61 -90.85 3 2 2 31 280.481 5 ↓

Analogs

41201480
41201480

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R)-1,3-dimethyl-1-(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) 4.05 8.01 -31.63 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.05 8.06 -3.64 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.05 8.28 -89.95 3 2 2 31 280.481 5 ↓

Analogs

41201549
41201549
61840582
61840582
61840583
61840583

Draw Identity 99% 90% 80% 70%

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

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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 7.8 -30.69 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.60 7.28 -3.9 1 2 0 25 264.438 5 ↓

Analogs

61840582
61840582
61840583
61840583
41201546
41201546

Draw Identity 99% 90% 80% 70%

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

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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 8.37 -30.8 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.60 7.44 -2.7 1 2 0 25 264.438 5 ↓

Analogs

41201392
41201392
41201395
41201395

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[1-ethyl-1-(4,5,6,7-tetrahydro…

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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) 3.77 8.22 -28.84 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.77 7.35 -4.22 1 2 0 25 264.438 5 ↓

Analogs

41201386
41201386
41201389
41201389
41201568
41201568

Draw Identity 99% 90% 80% 70%

Popular Name: N-[1-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[1-propyl-1-(4,5,6,7-tetrahydr…

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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) 4.89 9.75 -29.35 2 2 1 29 293.5 7 ↓
Hi High (pH 8-9.5) 4.89 8.71 -2.96 1 2 0 25 292.492 7 ↓

Analogs

41201580
41201580

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.64 -32.08 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.39 6.79 -4.13 1 2 0 25 250.411 5 ↓

Analogs

41201577
41201577

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.85 -31.39 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.39 6.92 -2.8 1 2 0 25 250.411 5 ↓

Analogs

41201605
41201605

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-3-methylsulfanyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1S)-3-methylsulfanyl-1-(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) 2.74 8.1 -34.11 2 2 1 29 283.486 6 ↓
Hi High (pH 8-9.5) 2.74 7.25 -5.56 1 2 0 25 282.478 6 ↓

Analogs

41201602
41201602

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-3-methylsulfanyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1R)-3-methylsulfanyl-1-(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) 2.74 8.31 -34.94 2 2 1 29 283.486 6 ↓
Hi High (pH 8-9.5) 2.74 7.37 -4.19 1 2 0 25 282.478 6 ↓

Analogs

41201610
41201610
41201613
41201613
41201616
41201616
41198105
41198105
41198107
41198107

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S,2R)-1,2-dimethyl-1-(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) 4.02 8.82 -32.45 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 7.86 -3.26 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 8.81 -90.19 3 2 2 31 280.481 5 ↓

Analogs

41201613
41201613
41201616
41201616
41198105
41198105
41198107
41198107
41201500
41201500

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S,2S)-1,2-dimethyl-1-(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) 4.02 8.76 -32.53 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 7.5 -3.57 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 8.77 -90.32 3 2 2 31 280.481 5 ↓

Analogs

41201616
41201616
41198105
41198105
41198107
41198107
41201500
41201500
41201503
41201503

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R,2R)-1,2-dimethyl-1-(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) 4.02 8.84 -32.33 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 7.45 -4.66 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 8.43 -89.65 3 2 2 31 280.481 5 ↓

Analogs

41198105
41198105
41198107
41198107
41201500
41201500
41201503
41201503
41201607
41201607

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-1,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R,2S)-1,2-dimethyl-1-(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) 4.02 8.84 -32.24 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 7.72 -3.4 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 8.84 -90.06 3 2 2 31 280.481 5 ↓

Analogs

41201622
41201622
41201416
41201416
41201419
41201419

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1S)-1-ethyl-2-methyl-1-(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) 4.02 8.56 -28.97 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 8.01 -3.29 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 9.06 -85.51 3 2 2 31 280.481 5 ↓

Analogs

41201416
41201416
41201419
41201419
41201619
41201619

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1R)-1-ethyl-2-methyl-1-(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) 4.02 8.06 -29.21 2 2 1 29 279.473 5 ↓
Hi High (pH 8-9.5) 4.02 7.93 -3.29 1 2 0 25 278.465 5 ↓
Lo Low (pH 4.5-6) 4.02 8.99 -85.73 3 2 2 31 280.481 5 ↓

Analogs

41201637
41201637
41201657
41201657
41201660
41201660

Draw Identity 99% 90% 80% 70%

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

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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) 3.07 7.72 -31.4 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.07 6.76 -3.65 1 2 0 25 250.411 4 ↓

Analogs

41201657
41201657
41201660
41201660
41201634
41201634

Draw Identity 99% 90% 80% 70%

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

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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) 3.07 7.72 -31.41 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.07 6.36 -4.84 1 2 0 25 250.411 4 ↓

Analogs

41201643
41201643
41201646
41201646
41201648
41201648
41201651
41201651
41201654
41201654

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S)-2-ethyl-1-(4,5,6,7-tetra…

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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) 4.07 8.89 -30.67 2 2 1 29 279.473 6 ↓
Hi High (pH 8-9.5) 4.07 9.15 -3.02 1 2 0 25 278.465 6 ↓

Analogs

41201646
41201646
41201648
41201648
41201651
41201651
41201654
41201654
41201628
41201628

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R)-2-ethyl-1-(4,5,6,7-tetra…

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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) 4.07 8.67 -31.41 2 2 1 29 279.473 6 ↓
Hi High (pH 8-9.5) 4.07 8.07 -4.15 1 2 0 25 278.465 6 ↓

Analogs

41201648
41201648
41201651
41201651
41201654
41201654
41198064
41198064
41198065
41198065

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1S,2R)-2-methyl-1-(4,5,6,7-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 8.35 -31.3 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.57 7.38 -3.53 1 2 0 25 264.438 5 ↓

Analogs

41201651
41201651
41201654
41201654
41198064
41198064
41198065
41198065
41201628
41201628

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 8.4 -31.7 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.57 7.25 -3.36 1 2 0 25 264.438 5 ↓

Analogs

41201654
41201654
41198064
41198064
41198065
41198065
41201628
41201628
41201631
41201631

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 8.21 -31.72 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.57 7.18 -3.99 1 2 0 25 264.438 5 ↓

Analogs

41198064
41198064
41198065
41198065
41201628
41201628
41201631
41201631
41201640
41201640

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butyl]cyclopropanamine N-[(1R,2S)-2-methyl-1-(4,5,6,7-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.57 8.38 -31.27 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.57 7.31 -4.04 1 2 0 25 264.438 5 ↓

Analogs

41201660
41201660
41201634
41201634
41201637
41201637

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1S)-2,2-dimethyl-1-(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) 3.65 7.78 -30.37 2 2 1 29 265.446 4 ↓
Hi High (pH 8-9.5) 3.65 7.01 -3.49 1 2 0 25 264.438 4 ↓

Analogs

41201634
41201634
41201637
41201637
41201657
41201657

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]cyclopropanamine N-[(1R)-2,2-dimethyl-1-(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) 3.65 7.81 -30.32 2 2 1 29 265.446 4 ↓
Hi High (pH 8-9.5) 3.65 6.86 -3.99 1 2 0 25 264.438 4 ↓

Analogs

41201666
41201666
41201357
41201357
41201360
41201360
41201369
41201369
41201372
41201372

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 8.42 -32.45 2 2 1 29 265.446 6 ↓
Hi High (pH 8-9.5) 3.89 7.57 -3.97 1 2 0 25 264.438 6 ↓

Analogs

41201357
41201357
41201360
41201360
41201369
41201369
41201372
41201372
41201663
41201663

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 8.64 -31.78 2 2 1 29 265.446 6 ↓
Hi High (pH 8-9.5) 3.89 7.7 -2.75 1 2 0 25 264.438 6 ↓

Parameters Provided:

ring.id = 521795
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 = 521795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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