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Popular Name: (5-chloro-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (5-chloro-2-thienyl)-[(2S)-tetra…

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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 7.14 -7.01 0 1 0 17 232.757 2 ↓

Analogs

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Popular Name: (5-chloro-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (5-chloro-2-thienyl)-[(2R)-tetra…

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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 7.22 -5.42 0 1 0 17 232.757 2 ↓

Analogs

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Popular Name: (3-bromo-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (3-bromo-2-thienyl)-[(2S)-tetrah…

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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 7.14 -10.38 0 1 0 17 277.208 2 ↓

Analogs

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Popular Name: (3-bromo-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (3-bromo-2-thienyl)-[(2R)-tetrah…

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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 7.21 -7.79 0 1 0 17 277.208 2 ↓

Analogs

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Popular Name: [(2S)-tetrahydrothiophen-2-yl]-(2-thienyl)methanone [(2S)-tetrahydrothiophen-2-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) 2.27 6.51 -9.17 0 1 0 17 198.312 2 ↓

Analogs

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Popular Name: [(2R)-tetrahydrothiophen-2-yl]-(2-thienyl)methanone [(2R)-tetrahydrothiophen-2-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) 2.27 6.59 -6.91 0 1 0 17 198.312 2 ↓

Analogs

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Popular Name: (5-methyl-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (5-methyl-2-thienyl)-[(2S)-tetra…

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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) 2.50 7.33 -9 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-methyl-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (5-methyl-2-thienyl)-[(2R)-tetra…

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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) 2.50 7.39 -7.16 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-ethyl-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (5-ethyl-2-thienyl)-[(2S)-tetrah…

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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 8.11 -8.61 0 1 0 17 226.366 3 ↓

Analogs

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Popular Name: (5-ethyl-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (5-ethyl-2-thienyl)-[(2R)-tetrah…

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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 8.18 -6.91 0 1 0 17 226.366 3 ↓

Analogs

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Popular Name: (3-methyl-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (3-methyl-2-thienyl)-[(2S)-tetra…

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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) 2.65 7.19 -8.46 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (3-methyl-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (3-methyl-2-thienyl)-[(2R)-tetra…

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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) 2.65 7.26 -6.4 0 1 0 17 212.339 2 ↓

Analogs

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Popular Name: (5-bromo-2-thienyl)-[(2S)-tetrahydrothiophen-2-yl]methanone (5-bromo-2-thienyl)-[(2S)-tetrah…

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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) 3.21 7.24 -6.95 0 1 0 17 277.208 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5-bromo-2-thienyl)-[(2R)-tetrahydrothiophen-2-yl]methanone (5-bromo-2-thienyl)-[(2R)-tetrah…

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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) 3.21 7.32 -5.39 0 1 0 17 277.208 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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