UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017206
35017206

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Popular Name: (1S)-2-methyl-1-(2-thienyl)-N-(3-thienylmethyl)propan-1-amine (1S)-2-methyl-1-(2-thienyl)-N-(3…

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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) 3.69 8.16 -35.65 2 1 1 17 252.428 5 ↓

Analogs

35017204
35017204

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Popular Name: (1R)-2-methyl-1-(2-thienyl)-N-(3-thienylmethyl)propan-1-amine (1R)-2-methyl-1-(2-thienyl)-N-(3…

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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) 3.69 8.15 -35.08 2 1 1 17 252.428 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-chloro-2-thienyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1R)-N-[(5-chloro-2-thienyl)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) 4.19 9.16 -42.89 2 1 1 17 286.873 4 ↓
Hi High (pH 8-9.5) 4.19 8.14 -3.52 1 1 0 12 285.865 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-chloro-2-thienyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1S)-N-[(5-chloro-2-thienyl)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) 4.19 9.2 -43.11 2 1 1 17 286.873 4 ↓
Hi High (pH 8-9.5) 4.19 8.06 -3.24 1 1 0 12 285.865 4 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.61 9.41 -38.7 2 1 1 17 266.455 4 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.61 9.38 -38.58 2 1 1 17 266.455 4 ↓

Analogs

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Popular Name: (1S)-1-(2,5-dimethyl-3-thienyl)-N-[(3-methyl-2-thienyl)methyl]ethanamine (1S)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.76 9.15 -38.58 2 1 1 17 266.455 4 ↓
Hi High (pH 8-9.5) 3.76 8.17 -4.24 1 1 0 12 265.447 4 ↓

Analogs

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Popular Name: (1R)-1-(2,5-dimethyl-3-thienyl)-N-[(3-methyl-2-thienyl)methyl]ethanamine (1R)-1-(2,5-dimethyl-3-thienyl)-…

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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) 3.76 9.11 -38.37 2 1 1 17 266.455 4 ↓
Hi High (pH 8-9.5) 3.76 7.98 -3.63 1 1 0 12 265.447 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-bromo-2-thienyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1R)-N-[(4-bromo-2-thienyl)methy…

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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 9.14 -41.75 2 1 1 17 331.324 4 ↓
Hi High (pH 8-9.5) 4.12 8.13 -3.88 1 1 0 12 330.316 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-1-(2,5-dimethyl-3-thienyl)ethanamine (1S)-N-[(4-bromo-2-thienyl)methy…

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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 9.19 -41.9 2 1 1 17 331.324 4 ↓
Hi High (pH 8-9.5) 4.12 8.04 -3.34 1 1 0 12 330.316 4 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-(3-thienylmethyl)ethanamine (1S)-1-(5-chloro-2-thienyl)-N-(3…

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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) 3.74 7.45 -41.74 2 1 1 17 258.819 4 ↓
Hi High (pH 8-9.5) 3.74 6.22 -2.81 1 1 0 12 257.811 4 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-(3-thienylmethyl)ethanamine (1R)-1-(5-chloro-2-thienyl)-N-(3…

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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) 3.74 7.45 -41.88 2 1 1 17 258.819 4 ↓
Hi High (pH 8-9.5) 3.74 6.24 -3.29 1 1 0 12 257.811 4 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[(1R)-1-(2,5-dimethyl-3-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.14 -33.46 2 1 1 17 294.509 5 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[(1S)-1-(2,5-dimethyl-3-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.49 -32.86 2 1 1 17 294.509 5 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-[(1R)-1-(2,5-dimethyl-3-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.38 -33.07 2 1 1 17 294.509 5 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-[(1S)-1-(2,5-dimethyl-3-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 10.09 -33.79 2 1 1 17 294.509 5 ↓

Analogs

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Popular Name: (1S)-N-[(5-bromo-3-thienyl)methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1S)-N-[(5-bromo-3-thienyl)methy…

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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 8.89 -39.52 2 1 1 17 331.324 5 ↓
Hi High (pH 8-9.5) 4.62 7.68 -2.55 1 1 0 12 330.316 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-bromo-3-thienyl)methyl]-2-methyl-1-(2-thienyl)propan-1-amine (1R)-N-[(5-bromo-3-thienyl)methy…

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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 8.87 -37.86 2 1 1 17 331.324 5 ↓
Hi High (pH 8-9.5) 4.62 7.45 -2.85 1 1 0 12 330.316 5 ↓

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) 3.39 9.92 -30.95 2 3 1 43 324.491 7 ↓
Hi High (pH 8-9.5) 3.39 9 -5.39 1 3 0 38 323.483 7 ↓

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) 3.39 9.6 -30.53 2 3 1 43 324.491 7 ↓
Hi High (pH 8-9.5) 3.39 8.84 -5.84 1 3 0 38 323.483 7 ↓

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) 3.39 9.61 -31 2 3 1 43 324.491 7 ↓
Hi High (pH 8-9.5) 3.39 9.13 -6.61 1 3 0 38 323.483 7 ↓

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) 3.39 9.98 -31.04 2 3 1 43 324.491 7 ↓
Hi High (pH 8-9.5) 3.39 9.11 -5.91 1 3 0 38 323.483 7 ↓

Analogs

20664974
20664974
20664976
20664976
13000539
13000539

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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) 2.39 7.7 -33.3 2 3 1 43 282.41 7 ↓
Hi High (pH 8-9.5) 2.39 6.72 -5.49 1 3 0 38 281.402 7 ↓

Analogs

20664974
20664974
20664976
20664976
13000539
13000539

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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) 2.39 7.7 -33.32 2 3 1 43 282.41 7 ↓
Hi High (pH 8-9.5) 2.39 6.5 -4.88 1 3 0 38 281.402 7 ↓

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) 3.32 8.43 -36.15 2 3 1 43 361.306 7 ↓
Mid Mid (pH 6-8) 3.32 7.45 -4.75 1 3 0 38 360.298 7 ↓

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) 3.32 8.43 -36.33 2 3 1 43 361.306 7 ↓
Mid Mid (pH 6-8) 3.32 7.23 -4.64 1 3 0 38 360.298 7 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1R)-1-(2,5-dimethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 9.86 -28.02 2 3 0 57 309.456 6 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(1S)-1-(2,5-dimethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 9.56 -28.99 2 3 0 57 309.456 6 ↓

Analogs

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Popular Name: (3R)-3-[[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(1R)-1-(2,5-dimethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 9.58 -29.33 2 3 0 57 309.456 6 ↓

Analogs

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Popular Name: (3R)-3-[[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(1S)-1-(2,5-dimethyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.08 9.89 -28.38 2 3 0 57 309.456 6 ↓

Analogs

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Popular Name: (3R)-3-(2-thienyl)-3-(3-thienylmethylamino)propanoic (3R)-3-(2-thienyl)-3-(3-thienylm…

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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) 2.08 7.29 -44.59 2 3 0 57 267.375 6 ↓

Analogs

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Popular Name: (3S)-3-(2-thienyl)-3-(3-thienylmethylamino)propanoic (3S)-3-(2-thienyl)-3-(3-thienylm…

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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) 2.08 7.29 -44.55 2 3 0 57 267.375 6 ↓

Analogs

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Popular Name: (3R)-3-[(5-bromo-3-thienyl)methylamino]-3-(2-thienyl)propanoic (3R)-3-[(5-bromo-3-thienyl)methy…

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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) 3.02 8.02 -46.95 2 3 0 57 346.271 6 ↓
Hi High (pH 8-9.5) 3.02 6.85 -43.03 1 3 -1 52 345.263 6 ↓

Analogs

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Popular Name: (3S)-3-[(5-bromo-3-thienyl)methylamino]-3-(2-thienyl)propanoic (3S)-3-[(5-bromo-3-thienyl)methy…

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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) 3.02 8.02 -46.85 2 3 0 57 346.271 6 ↓
Hi High (pH 8-9.5) 3.02 6.81 -43.34 1 3 -1 52 345.263 6 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-1-(3-thienyl)methanamine N-[(4-bromo-2-thienyl)methyl]-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) 3.12 6.9 -44.39 2 1 1 17 289.243 4 ↓
Hi High (pH 8-9.5) 3.12 5.55 -3.12 1 1 0 12 288.235 4 ↓

Analogs

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Popular Name: (1S)-N-[(3-methyl-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(3-methyl-2-thienyl)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) 3.32 7.49 -38.71 2 1 1 17 238.401 4 ↓
Hi High (pH 8-9.5) 3.32 6.35 -3.63 1 1 0 12 237.393 4 ↓

Analogs

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Popular Name: (1R)-N-[(3-methyl-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(3-methyl-2-thienyl)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) 3.32 7.48 -38.5 2 1 1 17 238.401 4 ↓
Hi High (pH 8-9.5) 3.32 6.31 -2.77 1 1 0 12 237.393 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-chloro-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-chloro-2-thienyl)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) 3.74 7.55 -43.17 2 1 1 17 258.819 4 ↓
Hi High (pH 8-9.5) 3.74 6.37 -2.35 1 1 0 12 257.811 4 ↓

Analogs

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Popular Name: (1R)-N-[(5-chloro-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-chloro-2-thienyl)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) 3.74 7.54 -43.01 2 1 1 17 258.819 4 ↓
Hi High (pH 8-9.5) 3.74 6.42 -2.89 1 1 0 12 257.811 4 ↓

Analogs

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Popular Name: (1S)-N-[(4-bromo-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(4-bromo-2-thienyl)methy…

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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) 3.68 7.53 -41.84 2 1 1 17 303.27 4 ↓
Hi High (pH 8-9.5) 3.68 6.35 -2.44 1 1 0 12 302.262 4 ↓

Analogs

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Popular Name: (1R)-N-[(4-bromo-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(4-bromo-2-thienyl)methy…

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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) 3.68 7.52 -41.92 2 1 1 17 303.27 4 ↓
Hi High (pH 8-9.5) 3.68 6.4 -3.22 1 1 0 12 302.262 4 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1S)-N-[(1S)-1-(3-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 7.93 -34.62 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.24 6.93 -2.67 1 1 0 12 316.289 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(3-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1R)-N-[(1S)-1-(3-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 8.01 -34.76 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.24 7.02 -3.48 1 1 0 12 316.289 4 ↓

Analogs

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Popular Name: (1S)-N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1S)-N-[(1R)-1-(3-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 8.03 -34.8 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.24 6.87 -2.85 1 1 0 12 316.289 4 ↓

Analogs

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Popular Name: (1R)-N-[(1R)-1-(3-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1R)-N-[(1R)-1-(3-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 7.94 -34.58 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.24 6.98 -2.75 1 1 0 12 316.289 4 ↓

Analogs

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Popular Name: (1S)-N-[(5-ethyl-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1S)-N-[(5-ethyl-2-thienyl)methy…

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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) 3.73 8.53 -38.83 2 1 1 17 252.428 5 ↓

Analogs

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Popular Name: (1R)-N-[(5-ethyl-2-thienyl)methyl]-1-(3-thienyl)ethanamine (1R)-N-[(5-ethyl-2-thienyl)methy…

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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) 3.73 8.54 -38.73 2 1 1 17 252.428 5 ↓

Analogs

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Popular Name: (1S)-N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1S)-N-[(1S)-1-(5-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 8.16 -38.96 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.43 7.14 -2.6 1 1 0 12 316.289 4 ↓

Analogs

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Popular Name: (1R)-N-[(1S)-1-(5-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1R)-N-[(1S)-1-(5-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 8.22 -39.28 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.43 7.25 -2.84 1 1 0 12 316.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(5-bromo-2-thienyl)ethyl]-1-(3-thienyl)ethanamine (1S)-N-[(1R)-1-(5-bromo-2-thieny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.43 8.23 -39.4 2 1 1 17 317.297 4 ↓
Hi High (pH 8-9.5) 4.43 7.09 -2.19 1 1 0 12 316.289 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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