UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-[(cyclopropylamino)methyl]thiazol-2-yl]-N-ethyl-acetamide N-[4-[(cyclopropylamino)methyl]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) 1.00 5.82 -38.1 2 4 1 50 240.352 5 ↓
Hi High (pH 8-9.5) 1.00 4.52 -15.8 1 4 0 45 239.344 5 ↓

Analogs

42766487
42766487
42766494
42766494
36732529
36732529

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Popular Name: 4-[[cyclopropyl(ethyl)amino]methyl]thiazol-2-amine 4-[[cyclopropyl(ethyl)amino]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) 1.26 4.23 -30 3 3 1 43 198.315 4 ↓
Hi High (pH 8-9.5) 1.26 2.49 -4.69 2 3 0 42 197.307 4 ↓

Analogs

42766487
42766487
42766494
42766494
36732529
36732529

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Popular Name: 4-[[cyclopropyl(methyl)amino]methyl]thiazol-2-amine 4-[[cyclopropyl(methyl)amino]met…

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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) 0.88 4.21 -29.7 3 3 1 43 184.288 3 ↓
Hi High (pH 8-9.5) 0.88 1.71 -4.9 2 3 0 42 183.28 3 ↓

Analogs

42766487
42766487
36732529
36732529

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Popular Name: 4-[[cyclopropyl(propyl)amino]methyl]thiazol-2-amine 4-[[cyclopropyl(propyl)amino]met…

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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) 1.76 4.97 -30.26 3 3 1 43 212.342 5 ↓
Hi High (pH 8-9.5) 1.76 2.93 -5.07 2 3 0 42 211.334 5 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-methyl-N-[[2-(methylaminomethy…

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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) 0.57 5.15 -86.58 3 3 2 34 213.35 5 ↓
Hi High (pH 8-9.5) 0.57 3.71 -29.9 2 3 1 29 212.342 5 ↓
Hi High (pH 8-9.5) 0.57 1.2 -4.66 1 3 0 28 211.334 5 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-methyl-cyclopropanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 0.94 6.01 -86.09 3 3 2 34 227.377 6 ↓
Hi High (pH 8-9.5) 0.94 4.64 -29.58 2 3 1 29 226.369 6 ↓
Hi High (pH 8-9.5) 0.94 2.14 -4.42 1 3 0 28 225.361 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-methyl-N-[[2-(propylaminomethy…

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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) 1.45 6.76 -87.62 3 3 2 34 241.404 7 ↓
Hi High (pH 8-9.5) 1.45 5.4 -29.58 2 3 1 29 240.396 7 ↓
Hi High (pH 8-9.5) 1.45 2.9 -4.37 1 3 0 28 239.388 7 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(isopropylamino)methyl]th…

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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) 1.24 6.54 -84.94 3 3 2 34 241.404 6 ↓
Hi High (pH 8-9.5) 1.24 5.31 -29.51 2 3 1 29 240.396 6 ↓
Hi High (pH 8-9.5) 1.24 2.81 -4.35 1 3 0 28 239.388 6 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 1.75 6.97 -83.66 3 3 2 34 255.431 6 ↓
Hi High (pH 8-9.5) 1.75 5.72 -29.39 2 3 1 29 254.423 6 ↓
Hi High (pH 8-9.5) 1.75 3.22 -4.13 1 3 0 28 253.415 6 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(isobutylamino)methyl]thi…

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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) 1.69 7.46 -88.1 3 3 2 34 255.431 7 ↓
Hi High (pH 8-9.5) 1.69 4.96 -38.37 2 3 1 33 254.423 7 ↓
Hi High (pH 8-9.5) 1.69 3.73 -4.13 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-methyl-cyclopropanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 0.19 3.28 -91.86 4 3 2 45 199.323 4 ↓
Hi High (pH 8-9.5) 0.19 0.37 -5.12 2 3 0 42 197.307 4 ↓
Mid Mid (pH 6-8) 0.19 2.87 -29.93 3 3 1 43 198.315 4 ↓

Analogs

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Popular Name: N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(methylaminomethyl)thiazol…

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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) 1.45 5.94 -86.41 3 3 2 34 241.404 7 ↓
Hi High (pH 8-9.5) 1.45 4.5 -30.79 2 3 1 29 240.396 7 ↓
Hi High (pH 8-9.5) 1.45 2.46 -3.81 1 3 0 28 239.388 7 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 1.82 6.8 -85.94 3 3 2 34 255.431 8 ↓
Hi High (pH 8-9.5) 1.82 5.43 -30.61 2 3 1 29 254.423 8 ↓
Hi High (pH 8-9.5) 1.82 3.39 -3.61 1 3 0 28 253.415 8 ↓

Analogs

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Popular Name: N-propyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-propyl-N-[[2-(propylaminomethy…

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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) 2.32 7.55 -87.46 3 3 2 34 269.458 9 ↓
Hi High (pH 8-9.5) 2.32 6.19 -30.41 2 3 1 29 268.45 9 ↓
Hi High (pH 8-9.5) 2.32 4.17 -4.64 1 3 0 28 267.442 9 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-[(isopropylamino)methyl]th…

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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) 2.12 7.32 -84.88 3 3 2 34 269.458 8 ↓
Hi High (pH 8-9.5) 2.12 6.1 -30.58 2 3 1 29 268.45 8 ↓
Hi High (pH 8-9.5) 2.12 4.06 -3.42 1 3 0 28 267.442 8 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 2.63 7.76 -83.54 3 3 2 34 283.485 8 ↓
Hi High (pH 8-9.5) 2.63 6.51 -30.33 2 3 1 29 282.477 8 ↓
Hi High (pH 8-9.5) 2.63 4.47 -3.3 1 3 0 28 281.469 8 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-[(isobutylamino)methyl]thi…

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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) 2.57 8.25 -87.95 3 3 2 34 283.485 9 ↓
Hi High (pH 8-9.5) 2.57 4.98 -3.35 1 3 0 28 281.469 9 ↓
Hi High (pH 8-9.5) 2.57 7.02 -30.45 2 3 1 29 282.477 9 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 1.07 4.07 -91.65 4 3 2 45 227.377 6 ↓
Hi High (pH 8-9.5) 1.07 1.62 -5.49 2 3 0 42 225.361 6 ↓
Mid Mid (pH 6-8) 1.07 3.66 -30.96 3 3 1 43 226.369 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(methylaminomethyl…

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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) 0.94 5.2 -85.53 3 3 2 34 227.377 6 ↓
Hi High (pH 8-9.5) 0.94 3.75 -30.51 2 3 1 29 226.369 6 ↓
Hi High (pH 8-9.5) 0.94 1.99 -3.52 1 3 0 28 225.361 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(ethylaminomethyl)…

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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) 1.32 6.65 -85.19 3 3 2 34 241.404 7 ↓
Hi High (pH 8-9.5) 1.32 5.28 -28.67 2 3 1 29 240.396 7 ↓
Hi High (pH 8-9.5) 1.32 2.68 -4.98 1 3 0 28 239.388 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(propylaminomethyl…

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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) 1.82 6.81 -86.52 3 3 2 34 255.431 8 ↓
Hi High (pH 8-9.5) 1.82 6.04 -28.68 2 3 1 29 254.423 8 ↓
Hi High (pH 8-9.5) 1.82 3.68 -4.03 1 3 0 28 253.415 8 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-ethyl-N-[[2-[(isopropylamino)m…

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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) 1.62 6.59 -83.92 3 3 2 34 255.431 7 ↓
Hi High (pH 8-9.5) 1.62 5.38 -30.08 2 3 1 29 254.423 7 ↓
Hi High (pH 8-9.5) 1.62 3.62 -3.12 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-ethyl-cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 2.13 7.01 -82.59 3 3 2 34 269.458 7 ↓
Hi High (pH 8-9.5) 2.13 5.77 -29.99 2 3 1 29 268.45 7 ↓
Hi High (pH 8-9.5) 2.13 4 -2.96 1 3 0 28 267.442 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-ethyl-N-[[2-[(isobutylamino)me…

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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) 2.06 7.5 -87.01 3 3 2 34 269.458 8 ↓
Hi High (pH 8-9.5) 2.06 5.74 -38.28 2 3 1 33 268.45 8 ↓
Hi High (pH 8-9.5) 2.06 6.13 -30.23 2 3 1 29 268.45 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-ethyl-cyclopropanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 0.57 3.92 -90.98 4 3 2 45 213.35 5 ↓
Hi High (pH 8-9.5) 0.57 1.15 -4.89 2 3 0 42 211.334 5 ↓
Mid Mid (pH 6-8) 0.57 3.51 -29.02 3 3 1 43 212.342 5 ↓

Analogs

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Popular Name: N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-(methylaminomethyl)thiazol…

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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) 1.49 3.72 -38.94 2 3 1 33 280.339 7 ↓
Hi High (pH 8-9.5) 1.49 2.28 -7.88 1 3 0 28 279.331 7 ↓
Lo Low (pH 4.5-6) 1.49 5.47 -92.44 3 3 2 34 281.347 7 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 1.87 4.59 -37.96 2 3 1 33 294.366 8 ↓
Hi High (pH 8-9.5) 1.87 3.22 -7.68 1 3 0 28 293.358 8 ↓
Lo Low (pH 4.5-6) 1.87 6.32 -92.12 3 3 2 34 295.374 8 ↓

Analogs

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Popular Name: N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-(propylaminomethyl)thiazol…

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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) 2.37 5.35 -38.68 2 3 1 33 308.393 9 ↓
Hi High (pH 8-9.5) 2.37 3.98 -7.59 1 3 0 28 307.385 9 ↓
Lo Low (pH 4.5-6) 2.37 7.08 -93.6 3 3 2 34 309.401 9 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-[(isopropylamino)methyl]th…

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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) 2.17 5.11 -35.98 2 3 1 33 308.393 8 ↓
Hi High (pH 8-9.5) 2.17 3.91 -7.4 1 3 0 28 307.385 8 ↓
Lo Low (pH 4.5-6) 2.17 6.85 -91.07 3 3 2 34 309.401 8 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 2.68 5.53 -34.37 2 3 1 33 322.42 8 ↓
Hi High (pH 8-9.5) 2.68 4.3 -7.39 1 3 0 28 321.412 8 ↓
Lo Low (pH 4.5-6) 2.68 7.28 -89.79 3 3 2 34 323.428 8 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-[(isobutylamino)methyl]thi…

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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) 2.62 6.03 -38.72 2 3 1 33 322.42 9 ↓
Hi High (pH 8-9.5) 2.62 4.66 -7.44 1 3 0 28 321.412 9 ↓
Lo Low (pH 4.5-6) 2.62 7.77 -94.16 3 3 2 34 323.428 9 ↓

Analogs

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Popular Name: N-butyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-(methylaminomethyl…

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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) 2.00 6.72 -87.29 3 3 2 34 255.431 8 ↓
Hi High (pH 8-9.5) 2.00 3.24 -3.73 1 3 0 28 253.415 8 ↓
Hi High (pH 8-9.5) 2.00 5.28 -31.5 2 3 1 29 254.423 8 ↓

Analogs

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Popular Name: N-butyl-N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-(ethylaminomethyl)…

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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) 2.38 7.58 -86.88 3 3 2 34 269.458 9 ↓
Hi High (pH 8-9.5) 2.38 4.17 -3.53 1 3 0 28 267.442 9 ↓
Hi High (pH 8-9.5) 2.38 6.21 -31.27 2 3 1 29 268.45 9 ↓

Analogs

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Popular Name: N-butyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-(propylaminomethyl…

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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) 2.88 8.33 -88.4 3 3 2 34 283.485 10 ↓
Hi High (pH 8-9.5) 2.88 4.93 -3.42 1 3 0 28 281.469 10 ↓
Hi High (pH 8-9.5) 2.88 6.97 -31.3 2 3 1 29 282.477 10 ↓

Analogs

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Popular Name: N-butyl-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-[(isopropylamino)m…

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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) 2.68 8.1 -85.78 3 3 2 34 283.485 9 ↓
Hi High (pH 8-9.5) 2.68 4.84 -3.38 1 3 0 28 281.469 9 ↓
Hi High (pH 8-9.5) 2.68 6.88 -31.25 2 3 1 29 282.477 9 ↓

Analogs

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Popular Name: N-butyl-N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-[(tert-butylamino)…

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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 8.53 -84.49 3 3 2 34 297.512 9 ↓
Hi High (pH 8-9.5) 3.19 5.25 -3.22 1 3 0 28 295.496 9 ↓
Hi High (pH 8-9.5) 3.19 7.29 -30.99 2 3 1 29 296.504 9 ↓

Analogs

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Popular Name: N-butyl-N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-butyl-N-[[2-[(isobutylamino)me…

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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) 3.13 9.03 -88.88 3 3 2 34 297.512 10 ↓
Hi High (pH 8-9.5) 3.13 7.8 -31.16 2 3 1 29 296.504 10 ↓
Hi High (pH 8-9.5) 3.13 5.76 -3.25 1 3 0 28 295.496 10 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-butyl-cyclopropanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 1.63 4.85 -92.55 4 3 2 45 241.404 7 ↓
Mid Mid (pH 6-8) 1.63 4.44 -31.67 3 3 1 43 240.396 7 ↓

Analogs

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Popular Name: N-isobutyl-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-isobutyl-N-[[2-(methylaminomet…

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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) 1.69 6.57 -86.51 3 3 2 34 255.431 7 ↓
Hi High (pH 8-9.5) 1.69 5.12 -30.76 2 3 1 29 254.423 7 ↓
Hi High (pH 8-9.5) 1.69 3.5 -3.49 1 3 0 28 253.415 7 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-isobutyl-cyclopropanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 2.06 7.43 -86 3 3 2 34 269.458 8 ↓
Hi High (pH 8-9.5) 2.06 6.05 -30.45 2 3 1 29 268.45 8 ↓
Hi High (pH 8-9.5) 2.06 4.38 -4.45 1 3 0 28 267.442 8 ↓

Analogs

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Popular Name: N-isobutyl-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-isobutyl-N-[[2-(propylaminomet…

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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) 2.57 8.19 -87.59 3 3 2 34 283.485 9 ↓
Hi High (pH 8-9.5) 2.57 6.82 -30.41 2 3 1 29 282.477 9 ↓
Hi High (pH 8-9.5) 2.57 5.14 -4.29 1 3 0 28 281.469 9 ↓

Analogs

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Popular Name: N-isobutyl-N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-isobutyl-N-[[2-[(isopropylamin…

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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) 2.36 7.96 -84.95 3 3 2 34 283.485 8 ↓
Hi High (pH 8-9.5) 2.36 5.1 -3.07 1 3 0 28 281.469 8 ↓
Hi High (pH 8-9.5) 2.36 6.75 -30.47 2 3 1 29 282.477 8 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-isobutyl-cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 2.88 8.39 -83.66 3 3 2 34 297.512 8 ↓
Hi High (pH 8-9.5) 2.88 5.51 -2.92 1 3 0 28 295.496 8 ↓
Hi High (pH 8-9.5) 2.88 7.16 -30.33 2 3 1 29 296.504 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-[[2-[(isobutylamino)methyl]thiazol-4-yl]methyl]cyclopropanamine N-isobutyl-N-[[2-[(isobutylamino…

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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) 2.81 8.87 -87.93 3 3 2 34 297.512 9 ↓
Hi High (pH 8-9.5) 2.81 7.51 -30.39 2 3 1 29 296.504 9 ↓
Hi High (pH 8-9.5) 2.81 5.97 -4.07 1 3 0 28 295.496 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(aminomethyl)thiazol-4-yl]methyl]-N-isobutyl-cyclopropanamine N-[[2-(aminomethyl)thiazol-4-yl]…

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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) 1.31 4.69 -91.74 4 3 2 45 241.404 6 ↓
Hi High (pH 8-9.5) 1.31 2.51 -5.14 2 3 0 42 239.388 6 ↓
Mid Mid (pH 6-8) 1.31 4.31 -30.8 3 3 1 43 240.396 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[2-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.55 4.34 -85.08 3 4 2 43 257.403 8 ↓
Hi High (pH 8-9.5) 0.55 0.8 -7.43 1 4 0 37 255.387 8 ↓
Mid Mid (pH 6-8) 0.55 2.24 -37.93 2 4 1 42 256.395 8 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[2-(ethylaminomethyl)thiazol-…

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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) 0.93 5.2 -84.63 3 4 2 43 271.43 9 ↓
Hi High (pH 8-9.5) 0.93 1.73 -7.23 1 4 0 37 269.414 9 ↓
Mid Mid (pH 6-8) 0.93 3.1 -36.97 2 4 1 42 270.422 9 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[2-(propylaminomethyl)thiazol-4-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[2-(propyl…

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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) 1.43 5.95 -86.04 3 4 2 43 285.457 10 ↓
Hi High (pH 8-9.5) 1.43 2.49 -7.12 1 4 0 37 283.441 10 ↓
Mid Mid (pH 6-8) 1.43 3.85 -37.64 2 4 1 42 284.449 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(isopropylamino)methyl]thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[2-[(isopropylamino)methyl]th…

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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) 1.22 5.72 -83.55 3 4 2 43 285.457 9 ↓
Hi High (pH 8-9.5) 1.22 2.4 -7.23 1 4 0 37 283.441 9 ↓
Mid Mid (pH 6-8) 1.22 3.63 -35.51 2 4 1 42 284.449 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[(tert-butylamino)methyl]thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[2-[(tert-butylamino)methyl]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) 1.74 6.15 -82.18 3 4 2 43 299.484 9 ↓
Hi High (pH 8-9.5) 1.74 2.81 -6.92 1 4 0 37 297.468 9 ↓
Mid Mid (pH 6-8) 1.74 4.06 -33.29 2 4 1 42 298.476 9 ↓

Parameters Provided:

ring.id = 15217
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 15217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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