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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (S)-(5-bromo-2-furyl)-(5-bromo-2-thienyl)methanamine (S)-(5-bromo-2-furyl)-(5-bromo-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) 3.92 4.91 -46.67 3 2 1 41 338.044 2 ↓
Hi High (pH 8-9.5) 3.92 4.56 -4.48 2 2 0 39 337.036 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-furyl)-(5-bromo-2-thienyl)methanamine (R)-(5-bromo-2-furyl)-(5-bromo-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) 3.92 4.91 -46.73 3 2 1 41 338.044 2 ↓
Hi High (pH 8-9.5) 3.92 4.56 -4.63 2 2 0 39 337.036 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methanamine (S)-(5-bromo-2-thienyl)-(3-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) 3.37 4.78 -43.4 3 2 1 41 273.175 2 ↓
Hi High (pH 8-9.5) 3.37 4.44 -4.38 2 2 0 39 272.167 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methanamine (R)-(5-bromo-2-thienyl)-(3-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) 3.37 4.76 -43.59 3 2 1 41 273.175 2 ↓
Hi High (pH 8-9.5) 3.37 4.42 -4.58 2 2 0 39 272.167 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-(2-furyl)methanamine (S)-(5-bromo-2-thienyl)-(2-furyl…

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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) 2.99 4.17 -44 3 2 1 41 259.148 2 ↓
Hi High (pH 8-9.5) 2.99 3.83 -4.38 2 2 0 39 258.14 2 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(2-furyl)methanamine (R)-(5-bromo-2-thienyl)-(2-furyl…

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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) 2.99 4.17 -44.04 3 2 1 41 259.148 2 ↓
Hi High (pH 8-9.5) 2.99 3.83 -4.25 2 2 0 39 258.14 2 ↓

Analogs

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Popular Name: (S)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methanamine (S)-(5-bromo-2-thienyl)-(5-nitro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 4.88 -57.46 3 5 1 87 304.145 3 ↓
Hi High (pH 8-9.5) 3.07 4.54 -10.15 2 5 0 85 303.137 3 ↓

Analogs

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Popular Name: (R)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methanamine (R)-(5-bromo-2-thienyl)-(5-nitro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 4.88 -57.43 3 5 1 87 304.145 3 ↓
Hi High (pH 8-9.5) 3.07 4.54 -10.25 2 5 0 85 303.137 3 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-2-furyl)-1-(5-bromo-2-thienyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-furyl)-1-(5-br…

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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) 4.30 6.69 -41.07 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 4.30 5.33 -4.83 1 2 0 25 351.063 3 ↓

Analogs

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Popular Name: (1R)-1-(5-bromo-2-furyl)-1-(5-bromo-2-thienyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-furyl)-1-(5-br…

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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) 4.30 6.66 -41 2 2 1 30 352.071 3 ↓
Hi High (pH 8-9.5) 4.30 5.34 -5 1 2 0 25 351.063 3 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(5-bromo-2-thienyl)-N-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) 3.74 6.56 -38.04 2 2 1 30 287.202 3 ↓
Hi High (pH 8-9.5) 3.74 5.21 -4.81 1 2 0 25 286.194 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(5-bromo-2-thienyl)-N-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) 3.74 6.52 -38.18 2 2 1 30 287.202 3 ↓
Hi High (pH 8-9.5) 3.74 5.18 -4.66 1 2 0 25 286.194 3 ↓

Analogs

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Popular Name: (1S)-1-(5-bromo-2-thienyl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-thienyl)-1-(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) 3.36 5.96 -38.5 2 2 1 30 273.175 3 ↓
Hi High (pH 8-9.5) 3.36 4.6 -4.48 1 2 0 25 272.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-thienyl)-1-(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) 3.36 5.92 -38.53 2 2 1 30 273.175 3 ↓
Hi High (pH 8-9.5) 3.36 4.61 -4.6 1 2 0 25 272.167 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1S)-1-(5-bromo-2-thienyl)-N-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) 3.45 6.67 -51.44 2 5 1 76 318.172 4 ↓
Hi High (pH 8-9.5) 3.45 5.31 -10.77 1 5 0 71 317.164 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1R)-1-(5-bromo-2-thienyl)-N-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) 3.45 6.63 -51.37 2 5 1 76 318.172 4 ↓
Hi High (pH 8-9.5) 3.45 5.32 -10.96 1 5 0 71 317.164 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-furyl)-(5-bromo-2-thienyl)methyl]ethanamine N-[(S)-(5-bromo-2-furyl)-(5-brom…

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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) 4.67 7.54 -39.59 2 2 1 30 366.098 4 ↓
Hi High (pH 8-9.5) 4.67 6.27 -4.68 1 2 0 25 365.09 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-furyl)-(5-bromo-2-thienyl)methyl]ethanamine N-[(R)-(5-bromo-2-furyl)-(5-brom…

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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) 4.67 7.5 -39.54 2 2 1 30 366.098 4 ↓
Hi High (pH 8-9.5) 4.67 6.28 -4.82 1 2 0 25 365.09 4 ↓

Analogs

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Popular Name: N-[(R)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(3-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) 4.12 7.36 -36.44 2 2 1 30 301.229 4 ↓
Hi High (pH 8-9.5) 4.12 6.14 -4.63 1 2 0 25 300.221 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(3-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) 4.12 7.4 -36.27 2 2 1 30 301.229 4 ↓
Hi High (pH 8-9.5) 4.12 6.14 -4.42 1 2 0 25 300.221 4 ↓

Analogs

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Popular Name: N-[(S)-(5-bromo-2-thienyl)-(2-furyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(2-fu…

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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 6.81 -36.89 2 2 1 30 287.202 4 ↓
Hi High (pH 8-9.5) 3.74 5.54 -4.32 1 2 0 25 286.194 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(2-furyl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(2-fu…

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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 6.77 -36.9 2 2 1 30 287.202 4 ↓
Hi High (pH 8-9.5) 3.74 5.55 -4.37 1 2 0 25 286.194 4 ↓

Analogs

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Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methyl]ethanamine N-[(S)-(5-bromo-2-thienyl)-(5-ni…

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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) 3.82 7.52 -50.25 2 5 1 76 332.199 5 ↓
Hi High (pH 8-9.5) 3.82 6.25 -10.72 1 5 0 71 331.191 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methyl]ethanamine N-[(R)-(5-bromo-2-thienyl)-(5-ni…

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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) 3.82 7.48 -50.03 2 5 1 76 332.199 5 ↓
Hi High (pH 8-9.5) 3.82 6.25 -10.9 1 5 0 71 331.191 5 ↓

Analogs

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

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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) 5.18 8.29 -40.1 2 2 1 30 380.125 5 ↓
Hi High (pH 8-9.5) 5.18 7.1 -4.02 1 2 0 25 379.117 5 ↓

Analogs

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

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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) 5.18 8.29 -40.11 2 2 1 30 380.125 5 ↓
Hi High (pH 8-9.5) 5.18 7.05 -4.68 1 2 0 25 379.117 5 ↓

Analogs

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Popular Name: N-[(R)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methyl]propan-1-amine N-[(R)-(5-bromo-2-thienyl)-(3-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) 4.62 8.14 -36.96 2 2 1 30 315.256 5 ↓
Hi High (pH 8-9.5) 4.62 6.9 -4.43 1 2 0 25 314.248 5 ↓

Analogs

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Popular Name: N-[(S)-(5-bromo-2-thienyl)-(3-methyl-2-furyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(3-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) 4.62 8.15 -36.76 2 2 1 30 315.256 5 ↓
Hi High (pH 8-9.5) 4.62 6.95 -3.96 1 2 0 25 314.248 5 ↓

Analogs

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

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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 7.56 -37.38 2 2 1 30 301.229 5 ↓
Hi High (pH 8-9.5) 4.24 6.38 -3.79 1 2 0 25 300.221 5 ↓

Analogs

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

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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 7.56 -37.43 2 2 1 30 301.229 5 ↓
Hi High (pH 8-9.5) 4.24 6.32 -4.2 1 2 0 25 300.221 5 ↓

Analogs

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Popular Name: N-[(S)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methyl]propan-1-amine N-[(S)-(5-bromo-2-thienyl)-(5-ni…

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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) 4.33 8.23 -50.68 2 5 1 76 346.226 6 ↓
Hi High (pH 8-9.5) 4.33 7.01 -10.39 1 5 0 71 345.218 6 ↓

Analogs

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Popular Name: N-[(R)-(5-bromo-2-thienyl)-(5-nitro-2-furyl)methyl]propan-1-amine N-[(R)-(5-bromo-2-thienyl)-(5-ni…

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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) 4.33 8.23 -50.67 2 5 1 76 346.226 6 ↓
Hi High (pH 8-9.5) 4.33 7.04 -10.06 1 5 0 71 345.218 6 ↓

Analogs

35497917
35497917

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1S)-1-(5-chloro-2-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) 3.32 6.56 -51.28 2 5 1 76 273.721 4 ↓
Hi High (pH 8-9.5) 3.32 5.2 -10.74 1 5 0 71 272.713 4 ↓

Analogs

35497915
35497915

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-(5-nitro-2-furyl)methanamine (1R)-1-(5-chloro-2-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) 3.32 6.53 -51.15 2 5 1 76 273.721 4 ↓
Hi High (pH 8-9.5) 3.32 5.21 -10.91 1 5 0 71 272.713 4 ↓

Analogs

35497925
35497925

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1S)-1-(5-chloro-2-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) 3.45 6.68 -38.22 2 2 1 30 242.751 3 ↓
Hi High (pH 8-9.5) 3.45 5.32 -4.93 1 2 0 25 241.743 3 ↓

Analogs

35497923
35497923

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-(5-methyl-2-furyl)methanamine (1R)-1-(5-chloro-2-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) 3.45 6.64 -38.14 2 2 1 30 242.751 3 ↓
Hi High (pH 8-9.5) 3.45 5.31 -4.68 1 2 0 25 241.743 3 ↓

Analogs

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-1-(2-furyl)-N-methyl-methanamine (1S)-1-(5-chloro-2-thienyl)-1-(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) 3.23 5.86 -38.41 2 2 1 30 228.724 3 ↓
Hi High (pH 8-9.5) 3.23 4.49 -4.45 1 2 0 25 227.716 3 ↓

Analogs

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-1-(2-furyl)-N-methyl-methanamine (1R)-1-(5-chloro-2-thienyl)-1-(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) 3.23 5.82 -38.36 2 2 1 30 228.724 3 ↓
Hi High (pH 8-9.5) 3.23 4.5 -4.57 1 2 0 25 227.716 3 ↓

Analogs

35497952
35497952

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Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1S)-1-(5-chloro-2-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) 3.61 6.46 -37.93 2 2 1 30 242.751 3 ↓
Hi High (pH 8-9.5) 3.61 5.1 -4.82 1 2 0 25 241.743 3 ↓

Analogs

35497950
35497950

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Popular Name: (1R)-1-(5-chloro-2-thienyl)-N-methyl-1-(3-methyl-2-furyl)methanamine (1R)-1-(5-chloro-2-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) 3.61 6.41 -38.06 2 2 1 30 242.751 3 ↓
Hi High (pH 8-9.5) 3.61 5.08 -4.65 1 2 0 25 241.743 3 ↓

Analogs

35497960
35497960

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Popular Name: (1S)-1-(5-bromo-2-furyl)-1-(5-chloro-2-thienyl)-N-methyl-methanamine (1S)-1-(5-bromo-2-furyl)-1-(5-ch…

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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) 4.17 6.59 -40.94 2 2 1 30 307.62 3 ↓
Hi High (pH 8-9.5) 4.17 5.23 -4.79 1 2 0 25 306.612 3 ↓

Analogs

35497958
35497958

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Popular Name: (1R)-1-(5-bromo-2-furyl)-1-(5-chloro-2-thienyl)-N-methyl-methanamine (1R)-1-(5-bromo-2-furyl)-1-(5-ch…

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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) 4.17 6.55 -40.87 2 2 1 30 307.62 3 ↓
Hi High (pH 8-9.5) 4.17 5.24 -4.94 1 2 0 25 306.612 3 ↓

Analogs

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Popular Name: N'-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(S)-(5-chloro-2-thienyl)-(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) 3.25 6.64 -36.6 2 4 1 39 329.873 9 ↓
Mid Mid (pH 6-8) 3.25 5.43 -38.66 2 4 1 42 329.873 9 ↓
Mid Mid (pH 6-8) 3.25 4.24 -5.22 1 4 0 38 328.865 9 ↓

Analogs

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Popular Name: N'-[(R)-(5-chloro-2-thienyl)-(2-furyl)methyl]-N-(2-methoxyethyl)-N-methyl-ethane-1,2-diamine N'-[(R)-(5-chloro-2-thienyl)-(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) 3.25 6.57 -36.37 2 4 1 39 329.873 9 ↓
Mid Mid (pH 6-8) 3.25 4.22 -5.51 1 4 0 38 328.865 9 ↓
Mid Mid (pH 6-8) 3.25 5.47 -39.33 2 4 1 42 329.873 9 ↓

Analogs

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Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-3,3,3-trifluoro-propan-1-amine N-[(S)-(5-chloro-2-thienyl)-(2-f…

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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 7.84 -44.77 2 2 1 30 310.748 6 ↓
Mid Mid (pH 6-8) 4.43 6.59 -5.68 1 2 0 25 309.74 6 ↓

Analogs

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Popular Name: N-[(R)-(5-chloro-2-thienyl)-(2-furyl)methyl]-3,3,3-trifluoro-propan-1-amine N-[(R)-(5-chloro-2-thienyl)-(2-f…

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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 7.84 -44.85 2 2 1 30 310.748 6 ↓
Mid Mid (pH 6-8) 4.43 6.65 -5.13 1 2 0 25 309.74 6 ↓

Analogs

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Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-2-methyl-but-3-yn-2-amine N-[(S)-(5-chloro-2-thienyl)-(2-f…

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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) 4.20 7.05 -4.58 1 2 0 25 279.792 4 ↓
Lo Low (pH 4.5-6) 4.20 7.84 -34.05 2 2 1 30 280.8 4 ↓

Analogs

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Popular Name: N-[(R)-(5-chloro-2-thienyl)-(2-furyl)methyl]-2-methyl-but-3-yn-2-amine N-[(R)-(5-chloro-2-thienyl)-(2-f…

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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) 4.20 6.95 -4.24 1 2 0 25 279.792 4 ↓
Lo Low (pH 4.5-6) 4.20 7.85 -34.19 2 2 1 30 280.8 4 ↓

Analogs

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Popular Name: 2-[[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]amino]acetamide 2-[[(S)-(5-chloro-2-thienyl)-(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) 1.96 2.93 -43.21 4 4 1 73 271.749 5 ↓
Mid Mid (pH 6-8) 1.96 1.68 -12.14 3 4 0 68 270.741 5 ↓

Analogs

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Popular Name: 2-[[(R)-(5-chloro-2-thienyl)-(2-furyl)methyl]amino]acetamide 2-[[(R)-(5-chloro-2-thienyl)-(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) 1.96 2.93 -43.23 4 4 1 73 271.749 5 ↓
Mid Mid (pH 6-8) 1.96 1.75 -11.95 3 4 0 68 270.741 5 ↓

Parameters Provided:

ring.id = 12871
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 = 12871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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