UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5-chloro-2-thienyl)cyclopropanamine 1-(5-chloro-2-thienyl)cyclopropa…

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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) 2.46 3.62 -44.82 3 1 1 28 174.676 1 ↓
Mid Mid (pH 6-8) 2.46 3.35 -1.84 2 1 0 26 173.668 1 ↓

Analogs

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Popular Name: 1-(5-cyclopropyl-3-thienyl)-N-methyl-methanamine 1-(5-cyclopropyl-3-thienyl)-N-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) 1.67 5.7 -38.14 2 1 1 17 168.285 3 ↓

Analogs

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Popular Name: 1-Thien-2-ylcyclopropanecarbonitrile 1-Thien-2-ylcyclopropanecarbonit…

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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) 2.04 6 -5.65 0 1 0 24 149.218 1 ↓

Analogs

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Popular Name: 1-Thien-2-ylcyclopropanecarboxylic acid 1-Thien-2-ylcyclopropanecarboxyl…

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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) 1.50 6.14 -46.5 0 2 -1 40 167.209 2 ↓

Analogs

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Popular Name: [1-(2-Thienyl)cyclopropyl]amine hydrochloride [1-(2-Thienyl)cyclopropyl]amine …

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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) 1.65 3 -41.31 3 1 1 28 140.231 1 ↓
Mid Mid (pH 6-8) 1.65 2.73 -2.75 2 1 0 26 139.223 1 ↓

Analogs

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Popular Name: 3-methyl-N-[[1-(2-thienyl)cyclopropyl]methyl]butanamide 3-methyl-N-[[1-(2-thienyl)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) 3.01 6.76 -7.37 1 2 0 29 237.368 5 ↓

Analogs

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Popular Name: 1-tert-butyl-3-[[1-(2-thienyl)cyclopropyl]methyl]urea 1-tert-butyl-3-[[1-(2-thienyl)cy…

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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 5.28 -9.27 2 3 0 41 252.383 4 ↓

Analogs

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Popular Name: 2,2-dimethyl-N-[[1-(2-thienyl)cyclopropyl]methyl]propanamide 2,2-dimethyl-N-[[1-(2-thienyl)cy…

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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 6.66 -7.76 1 2 0 29 237.368 4 ↓

Analogs

34541389
34541389

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Popular Name: ethyl ethyl

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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) 2.49 4.93 -6.94 1 3 0 38 225.313 5 ↓

Analogs

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Popular Name: 2-ethoxy-N-[[1-(2-thienyl)cyclopropyl]methyl]acetamide 2-ethoxy-N-[[1-(2-thienyl)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) 1.72 5.71 -11.11 1 3 0 38 239.34 6 ↓

Analogs

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Popular Name: methyl 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) 1.89 4 -7.2 1 3 0 38 211.286 4 ↓

Analogs

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Popular Name: N-propyl-N'-[[1-(2-thienyl)cyclopropyl]methyl]oxamide N-propyl-N'-[[1-(2-thienyl)cyclo…

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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) 1.35 3.83 -6.95 2 4 0 58 266.366 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N'-[[1-(2-thienyl)cyclopropyl]methyl]oxamide N-(2-methoxyethyl)-N'-[[1-(2-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) 0.45 2.14 -8.11 2 5 0 67 282.365 7 ↓

Analogs

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Popular Name: N-methyl-N'-[[1-(2-thienyl)cyclopropyl]methyl]oxamide N-methyl-N'-[[1-(2-thienyl)cyclo…

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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) 0.47 2.22 -7.71 2 4 0 58 238.312 4 ↓

Analogs

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Popular Name: N-tert-butyl-N'-[[1-(2-thienyl)cyclopropyl]methyl]oxamide N-tert-butyl-N'-[[1-(2-thienyl)c…

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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) 1.65 4.36 -6.63 2 4 0 58 280.393 5 ↓

Analogs

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Popular Name: N-[[1-(2-thienyl)cyclopropyl]methyl]propane-1-sulfonamide N-[[1-(2-thienyl)cyclopropyl]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) 2.29 4.16 -10.55 1 3 0 46 259.396 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-(2-thienyl)cyclopropyl]methyl]propane-1-sulfonamide 2-methyl-N-[[1-(2-thienyl)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) 2.54 4.91 -10.16 1 3 0 46 273.423 6 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1S)-1-cyano-1-methyl-propyl]-2-(5-methyl-2-thienyl)cyclopropanecarboxamide (1R,2S)-N-[(1S)-1-cyano-1-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) 2.84 7.01 -14.72 1 3 0 53 262.378 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1R)-1-cyano-1-methyl-propyl]-2-(5-methyl-2-thienyl)cyclopropanecarboxamide (1R,2S)-N-[(1R)-1-cyano-1-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) 2.84 7.01 -14.7 1 3 0 53 262.378 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(1S)-1-cyano-1-methyl-propyl]-2-(5-methyl-2-thienyl)cyclopropanecarboxamide (1S,2S)-N-[(1S)-1-cyano-1-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) 2.84 7.01 -13.07 1 3 0 53 262.378 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(1R)-1-cyano-1-methyl-propyl]-2-(5-methyl-2-thienyl)cyclopropanecarboxamide (1S,2S)-N-[(1R)-1-cyano-1-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) 2.84 7.01 -12.33 1 3 0 53 262.378 4 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropanamine (1S,2R)-2-methyl-2-(3-methyl-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) 2.15 4.37 -36.99 3 1 1 28 168.285 1 ↓
Mid Mid (pH 6-8) 2.15 4.04 -2.96 2 1 0 26 167.277 1 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropanamine (1S,2S)-2-methyl-2-(3-methyl-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) 2.15 4.33 -45.98 3 1 1 28 168.285 1 ↓
Mid Mid (pH 6-8) 2.15 4.05 -2.47 2 1 0 26 167.277 1 ↓

Analogs

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Popular Name: (1R,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropanamine (1R,2R)-2-methyl-2-(3-methyl-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) 2.15 4.27 -45.99 3 1 1 28 168.285 1 ↓
Mid Mid (pH 6-8) 2.15 3.96 -2.69 2 1 0 26 167.277 1 ↓

Analogs

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Popular Name: (1R,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropanamine (1R,2S)-2-methyl-2-(3-methyl-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) 2.15 4.39 -38.87 3 1 1 28 168.285 1 ↓
Mid Mid (pH 6-8) 2.15 4.09 -2.58 2 1 0 26 167.277 1 ↓

Analogs

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Popular Name: [(1S,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methanamine [(1S,2R)-2-methyl-2-(3-methyl-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) 2.04 4.74 -41.9 3 1 1 28 182.312 2 ↓

Analogs

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Popular Name: [(1S,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methanamine [(1S,2S)-2-methyl-2-(3-methyl-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) 2.04 4.84 -47.91 3 1 1 28 182.312 2 ↓

Analogs

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Popular Name: [(1R,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methanamine [(1R,2R)-2-methyl-2-(3-methyl-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) 2.04 4.8 -47.97 3 1 1 28 182.312 2 ↓

Analogs

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Popular Name: [(1R,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methanamine [(1R,2S)-2-methyl-2-(3-methyl-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) 2.04 4.69 -42.14 3 1 1 28 182.312 2 ↓

Analogs

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Popular Name: N-[[(1S,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methyl]propan-2-amine N-[[(1S,2R)-2-methyl-2-(3-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) 3.70 7.99 -34.67 2 1 1 17 224.393 4 ↓

Analogs

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Popular Name: N-[[(1S,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methyl]propan-2-amine N-[[(1S,2S)-2-methyl-2-(3-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) 3.70 8.08 -40.2 2 1 1 17 224.393 4 ↓

Analogs

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Popular Name: N-[[(1R,2R)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methyl]propan-2-amine N-[[(1R,2R)-2-methyl-2-(3-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) 3.70 8.05 -40.26 2 1 1 17 224.393 4 ↓

Analogs

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Popular Name: N-[[(1R,2S)-2-methyl-2-(3-methyl-2-thienyl)cyclopropyl]methyl]propan-2-amine N-[[(1R,2S)-2-methyl-2-(3-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) 3.70 7.92 -34.9 2 1 1 17 224.393 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(5-bromo-2-thienyl)cyclopropanecarboxylic (1S,2R)-2-(5-bromo-2-thienyl)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) 2.60 7.01 -44.42 0 2 -1 40 246.105 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(5-bromo-2-thienyl)cyclopropanecarboxylic (1S,2S)-2-(5-bromo-2-thienyl)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) 2.60 7.16 -41.93 0 2 -1 40 246.105 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(5-bromo-2-thienyl)cyclopropanecarboxylic (1R,2R)-2-(5-bromo-2-thienyl)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) 2.60 7.17 -42.21 0 2 -1 40 246.105 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(5-bromo-2-thienyl)cyclopropanecarboxylic (1R,2S)-2-(5-bromo-2-thienyl)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) 2.60 6.92 -42.71 0 2 -1 40 246.105 2 ↓

Analogs

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Popular Name: 2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(3-methylthiophen-2-yl)cyclopr…

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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) 2.04 6.87 -47.18 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: 2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(3-methylthiophen-2-yl)cyclopr…

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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) 2.04 6.99 -45.52 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: 2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(3-methylthiophen-2-yl)cyclopr…

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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) 2.04 7.02 -46.01 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: 2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(3-methylthiophen-2-yl)cyclopr…

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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) 2.04 6.75 -45.48 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: 2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(5-methylthiophen-2-yl)cyclopr…

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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) 1.89 7.12 -47.48 0 2 -1 40 181.236 2 ↓

Analogs

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Popular Name: 2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(5-methylthiophen-2-yl)cyclopr…

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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) 1.89 7.27 -45.62 0 2 -1 40 181.236 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(5-methylthiophen-2-yl)cyclopr…

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Activity (Go SEA)

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) 1.89 7.27 -45.82 0 2 -1 40 181.236 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid 2-(5-methylthiophen-2-yl)cyclopr…

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Activity (Go SEA)

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) 1.89 7.03 -45.78 0 2 -1 40 181.236 2 ↓

Analogs

36140765
36140765
36140767
36140767

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Popular Name: (1S,2R)-2-(5-chloro-2-thienyl)cyclopropanecarboxylic (1S,2R)-2-(5-chloro-2-thienyl)cy…

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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 6.92 -44.33 0 2 -1 40 201.654 2 ↓

Analogs

36140765
36140765
36140767
36140767

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(5-chloro-2-thienyl)cyclopropanecarboxylic (1S,2S)-2-(5-chloro-2-thienyl)cy…

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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 7.06 -41.95 0 2 -1 40 201.654 2 ↓

Analogs

36140765
36140765
36140767
36140767

Draw Identity 99% 90% 80% 70%

Popular Name: trans-2-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid trans-2-(5-chlorothiophen-2-yl)c…

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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 7.07 -42.21 0 2 -1 40 201.654 2 ↓

Analogs

36140765
36140765
36140767
36140767

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(5-chloro-2-thienyl)cyclopropanecarboxylic (1R,2S)-2-(5-chloro-2-thienyl)cy…

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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 6.82 -42.6 0 2 -1 40 201.654 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(5-bromo-2-thienyl)cyclopropanamine (1S,2R)-2-(5-bromo-2-thienyl)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) 2.26 4.01 -39.87 3 1 1 28 219.127 1 ↓
Mid Mid (pH 6-8) 2.26 3.66 -2.65 2 1 0 26 218.119 1 ↓

Parameters Provided:

ring.id = 25333
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 = 25333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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