UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41200894
41200894
41201063
41201063
41201191
41201191
41201211
41201211
69382637
69382637

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-heptyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 5.08 10.19 -32.35 2 2 1 29 293.5 8 ↓
Hi High (pH 8-9.5) 5.08 8.57 -5.36 1 2 0 25 292.492 8 ↓
Lo Low (pH 4.5-6) 5.08 9.97 -92.26 3 2 2 31 294.508 8 ↓

Analogs

41201063
41201063
41201191
41201191
41201211
41201211
69382637
69382637
69382642
69382642

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-heptyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 5.08 9.69 -31.51 2 2 1 29 293.5 8 ↓
Hi High (pH 8-9.5) 5.08 8.72 -4.45 1 2 0 25 292.492 8 ↓
Lo Low (pH 4.5-6) 5.08 9.94 -91 3 2 2 31 294.508 8 ↓

Analogs

41200900
41200900
41200909
41200909
41200912
41200912
41201342
41201342
41201345
41201345

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)hexyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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 8.6 -33.37 2 2 1 29 265.446 7 ↓
Hi High (pH 8-9.5) 4.12 7.76 -4.88 1 2 0 25 264.438 7 ↓

Analogs

41200909
41200909
41200912
41200912
41201342
41201342
41201345
41201345
41200897
41200897

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)hexyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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 8.82 -32.81 2 2 1 29 265.446 7 ↓
Hi High (pH 8-9.5) 4.12 7.89 -3.51 1 2 0 25 264.438 7 ↓

Analogs

41200906
41200906
41197738
41197738
41197740
41197740

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methoxy-1,3-dimethyl-butyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.19 7.3 -31.39 2 3 1 39 295.472 6 ↓
Hi High (pH 8-9.5) 3.19 5.82 -3.84 1 3 0 34 294.464 6 ↓
Lo Low (pH 4.5-6) 3.19 7.51 -85.24 3 3 2 40 296.48 6 ↓

Analogs

41197738
41197738
41197740
41197740
41200903
41200903

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methoxy-1,3-dimethyl-butyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.19 7.14 -29 2 3 1 39 295.472 6 ↓
Hi High (pH 8-9.5) 3.19 6.83 -5.56 1 3 0 34 294.464 6 ↓
Lo Low (pH 4.5-6) 3.19 7.48 -86.27 3 3 2 40 296.48 6 ↓

Analogs

41200912
41200912
41201342
41201342
41201345
41201345
41200897
41200897
41200900
41200900

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)heptyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 4.63 9.38 -33.45 2 2 1 29 279.473 8 ↓
Hi High (pH 8-9.5) 4.63 8.54 -4.77 1 2 0 25 278.465 8 ↓

Analogs

41201342
41201342
41201345
41201345
41200897
41200897
41200900
41200900
41200909
41200909

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)heptyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 4.63 9.6 -32.94 2 2 1 29 279.473 8 ↓
Hi High (pH 8-9.5) 4.63 8.67 -3.54 1 2 0 25 278.465 8 ↓

Analogs

41200918
41200918
69382637
69382637
69382642
69382642

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,4-dimethyl-pentyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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 9.14 -32.22 2 2 1 29 279.473 6 ↓
Hi High (pH 8-9.5) 4.05 7.53 -5.35 1 2 0 25 278.465 6 ↓
Lo Low (pH 4.5-6) 4.05 8.92 -92.36 3 2 2 31 280.481 6 ↓

Analogs

41200915
41200915

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,4-dimethyl-pentyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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 8.64 -31.3 2 2 1 29 279.473 6 ↓
Hi High (pH 8-9.5) 4.05 7.68 -4.46 1 2 0 25 278.465 6 ↓
Lo Low (pH 4.5-6) 4.05 8.9 -90.94 3 2 2 31 280.481 6 ↓

Analogs

41200930
41200930
41201214
41201214
41061957
41061957

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-butyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.56 7.81 -30.64 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.56 6.68 -4.85 1 2 0 25 250.411 5 ↓
Lo Low (pH 4.5-6) 3.56 7.95 -88.62 3 2 2 31 252.427 5 ↓

Analogs

41201214
41201214
41200927
41200927
41061957
41061957

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-methyl-butyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.56 7.32 -29.99 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.56 6.56 -4.94 1 2 0 25 250.411 5 ↓
Lo Low (pH 4.5-6) 3.56 8.04 -88.55 3 2 2 31 252.427 5 ↓

Analogs

41200966
41200966
41201295
41201295
41201298
41201298

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-propyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.25 7.36 -30.62 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.25 6.32 -4.48 1 2 0 25 250.411 4 ↓
Lo Low (pH 4.5-6) 3.25 7.74 -86.76 3 2 2 31 252.427 4 ↓

Analogs

41201295
41201295
41201298
41201298
41200963
41200963

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-propyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.25 6.46 -30.25 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.25 6.48 -4.36 1 2 0 25 250.411 4 ↓
Lo Low (pH 4.5-6) 3.25 7.44 -86.56 3 2 2 31 252.427 4 ↓

Analogs

41201070
41201070

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,3-dimethyl-butyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.78 7.85 -33.67 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.78 6.35 -4.58 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.78 8.02 -90.2 3 2 2 31 266.454 5 ↓

Analogs

41201066
41201066

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,3-dimethyl-butyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.78 7.41 -32.24 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.78 7.47 -4.49 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.78 7.69 -89.37 3 2 2 31 266.454 5 ↓

Analogs

41201167
41201167
61840580
61840580
61840581
61840581

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-butyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.33 7.2 -31.3 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.33 6.69 -4.72 1 2 0 25 250.411 5 ↓

Analogs

61840580
61840580
61840581
61840581
41201164
41201164

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methyl-butyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.33 7.78 -31.45 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.33 6.89 -3.51 1 2 0 25 250.411 5 ↓

Analogs

41061954
41061954
41061955
41061955

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Popular Name: N-[1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-propyl]cyclopropanamine N-[1-(5,6-dihydro-4H-cyclopenta[…

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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 7.63 -29.5 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.50 6.76 -5.09 1 2 0 25 250.411 5 ↓
Lo Low (pH 4.5-6) 3.50 7.92 -85.71 3 2 2 31 252.427 5 ↓

Analogs

41200927
41200927
41200930
41200930

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Popular Name: N-[1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-propyl-butyl]cyclopropanamine N-[1-(5,6-dihydro-4H-cyclopenta[…

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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) 4.62 9.25 -30.65 2 2 1 29 279.473 7 ↓
Hi High (pH 8-9.5) 4.62 7.96 -4.67 1 2 0 25 278.465 7 ↓
Lo Low (pH 4.5-6) 4.62 9.25 -88.85 3 2 2 31 280.481 7 ↓

Analogs

41201220
41201220
41201223
41201223
41201226
41201226

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Popular Name: N-[(1S,3R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-3-methyl-pentyl]cyclopropanamine N-[(1S,3R)-1-(5,6-dihydro-4H-cyc…

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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) 4.52 9.16 -31.77 2 2 1 29 293.5 7 ↓
Hi High (pH 8-9.5) 4.52 7.59 -4.26 1 2 0 25 292.492 7 ↓
Lo Low (pH 4.5-6) 4.52 9.38 -89.55 3 2 2 31 294.508 7 ↓

Analogs

41201223
41201223
41201226
41201226
41201217
41201217

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Popular Name: N-[(1S,3S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-3-methyl-pentyl]cyclopropanamine N-[(1S,3S)-1-(5,6-dihydro-4H-cyc…

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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) 4.52 9.49 -29.37 2 2 1 29 293.5 7 ↓
Hi High (pH 8-9.5) 4.52 7.77 -4.13 1 2 0 25 292.492 7 ↓
Lo Low (pH 4.5-6) 4.52 9.47 -87.86 3 2 2 31 294.508 7 ↓

Analogs

41201226
41201226
41201217
41201217
41201220
41201220

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Popular Name: N-[(1R,3R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-3-methyl-pentyl]cyclopropanamine N-[(1R,3R)-1-(5,6-dihydro-4H-cyc…

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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) 4.52 8.48 -32.9 2 2 1 29 293.5 7 ↓
Hi High (pH 8-9.5) 4.52 9.12 -3.8 1 2 0 25 292.492 7 ↓
Lo Low (pH 4.5-6) 4.52 9.17 -88.11 3 2 2 31 294.508 7 ↓

Analogs

41201217
41201217
41201220
41201220
41201223
41201223

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Popular Name: N-[(1R,3S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-3-methyl-pentyl]cyclopropanamine N-[(1R,3S)-1-(5,6-dihydro-4H-cyc…

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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) 4.52 8.4 -32.66 2 2 1 29 293.5 7 ↓
Hi High (pH 8-9.5) 4.52 8.98 -3.84 1 2 0 25 292.492 7 ↓
Lo Low (pH 4.5-6) 4.52 9.1 -88.3 3 2 2 31 294.508 7 ↓

Analogs

41201280
41201280

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methylsulfanyl-propyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 2.47 7.5 -34.83 2 2 1 29 269.459 6 ↓
Hi High (pH 8-9.5) 2.47 6.66 -6.47 1 2 0 25 268.451 6 ↓

Analogs

41201277
41201277

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Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-methylsulfanyl-propyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 2.47 7.71 -35.51 2 2 1 29 269.459 6 ↓
Hi High (pH 8-9.5) 2.47 6.78 -5.01 1 2 0 25 268.451 6 ↓

Analogs

41201286
41201286
41201289
41201289
41201292
41201292
41197884
41197884
41197886
41197886

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Popular Name: N-[(1S,2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-butyl]cyclopropanamine N-[(1S,2R)-1-(5,6-dihydro-4H-cyc…

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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 8.23 -33.45 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 7.27 -4.18 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 8.15 -89.43 3 2 2 31 266.454 5 ↓

Analogs

41201289
41201289
41201292
41201292
41197884
41197884
41197886
41197886
41201108
41201108

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Popular Name: N-[(1S,2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-butyl]cyclopropanamine N-[(1S,2S)-1-(5,6-dihydro-4H-cyc…

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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 8.18 -33.43 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 6.89 -4.45 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 7.96 -89.07 3 2 2 31 266.454 5 ↓

Analogs

41201292
41201292
41197884
41197884
41197886
41197886
41201108
41201108
41201111
41201111

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Popular Name: N-[(1R,2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-butyl]cyclopropanamine N-[(1R,2R)-1-(5,6-dihydro-4H-cyc…

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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 8.25 -33.25 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 6.86 -5.55 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 8.09 -88.03 3 2 2 31 266.454 5 ↓

Analogs

41197884
41197884
41197886
41197886
41201108
41201108
41201111
41201111

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,2-dimethyl-butyl]cyclopropanamine N-[(1R,2S)-1-(5,6-dihydro-4H-cyc…

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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 8.21 -33.44 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 7.1 -4.18 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 8.16 -89.28 3 2 2 31 266.454 5 ↓

Analogs

41201298
41201298
41200963
41200963
41200966
41200966

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Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-2-methyl-propyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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 7.96 -29.66 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 7.34 -4.2 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 8.47 -85.03 3 2 2 31 266.454 5 ↓

Analogs

41200963
41200963
41200966
41200966
41201295
41201295

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1-ethyl-2-methyl-propyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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 7.48 -29.88 2 2 1 29 265.446 5 ↓
Hi High (pH 8-9.5) 3.75 7.36 -4.15 1 2 0 25 264.438 5 ↓
Lo Low (pH 4.5-6) 3.75 8.39 -85.29 3 2 2 31 266.454 5 ↓

Analogs

41201319
41201319
41201322
41201322
41201326
41201326
41201331
41201331
41201333
41201333

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-ethyl-butyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.80 8.27 -31.86 2 2 1 29 265.446 6 ↓
Hi High (pH 8-9.5) 3.80 6.85 -5.12 1 2 0 25 264.438 6 ↓

Analogs

41201322
41201322
41201326
41201326
41201331
41201331
41201333
41201333
41201316
41201316

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-ethyl-butyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.80 8.05 -31.54 2 2 1 29 265.446 6 ↓
Hi High (pH 8-9.5) 3.80 7.29 -3.53 1 2 0 25 264.438 6 ↓

Analogs

41201326
41201326
41201331
41201331
41201333
41201333
41201316
41201316
41201319
41201319

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-butyl]cyclopropanamine N-[(1S,2R)-1-(5,6-dihydro-4H-cyc…

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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 7.63 -32.12 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.30 6.87 -3.92 1 2 0 25 250.411 5 ↓

Analogs

41201331
41201331
41201333
41201333
41201316
41201316
41201319
41201319
41201322
41201322

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-butyl]cyclopropanamine N-[(1S,2S)-1-(5,6-dihydro-4H-cyc…

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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 7.81 -32.43 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.30 6.56 -4.92 1 2 0 25 250.411 5 ↓

Analogs

41201333
41201333
41201316
41201316
41201319
41201319
41201322
41201322
41201326
41201326

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-butyl]cyclopropanamine N-[(1R,2R)-1-(5,6-dihydro-4H-cyc…

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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 7.63 -31.72 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.30 6.75 -3.57 1 2 0 25 250.411 5 ↓

Analogs

41201316
41201316
41201319
41201319
41201322
41201322
41201326
41201326
41201331
41201331

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2-methyl-butyl]cyclopropanamine N-[(1R,2S)-1-(5,6-dihydro-4H-cyc…

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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 8.08 -32.06 2 2 1 29 251.419 5 ↓
Hi High (pH 8-9.5) 3.30 7.13 -5.41 1 2 0 25 250.411 5 ↓

Analogs

41201339
41201339
41061966
41061966
41061967
41061967

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2,2-dimethyl-propyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.38 7.19 -31.06 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.38 6.42 -4.38 1 2 0 25 250.411 4 ↓

Analogs

41201336
41201336
41061966
41061966
41061967
41061967

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-2,2-dimethyl-propyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.38 7.22 -30.99 2 2 1 29 251.419 4 ↓
Hi High (pH 8-9.5) 3.38 6.27 -4.91 1 2 0 25 250.411 4 ↓

Analogs

41201345
41201345
41200897
41200897
41200900
41200900
41200909
41200909
41200912
41200912

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)pentyl]cyclopropanamine N-[(1S)-1-(5,6-dihydro-4H-cyclop…

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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) 3.62 7.82 -33.13 2 2 1 29 251.419 6 ↓
Hi High (pH 8-9.5) 3.62 6.98 -4.83 1 2 0 25 250.411 6 ↓

Analogs

41200897
41200897
41200900
41200900
41200909
41200909
41200912
41200912
41201342
41201342

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)pentyl]cyclopropanamine N-[(1R)-1-(5,6-dihydro-4H-cyclop…

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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) 3.62 8.03 -32.31 2 2 1 29 251.419 6 ↓
Hi High (pH 8-9.5) 3.62 7.11 -3.56 1 2 0 25 250.411 6 ↓

Parameters Provided:

ring.id = 521755
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 = 521755 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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