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Analogs

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Popular Name: 2-iodo-N-methyl-5-nitro-N-(3-thienylmethyl)benzamide 2-iodo-N-methyl-5-nitro-N-(3-thi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 9.04 -7.43 0 5 0 66 402.213 4 ↓

Analogs

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Popular Name: 5-chloro-2-iodo-N-methyl-N-(3-thienylmethyl)benzamide 5-chloro-2-iodo-N-methyl-N-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 8.89 -6.79 0 2 0 20 391.661 3 ↓

Analogs

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Popular Name: 4-chloro-3-iodo-N-methyl-N-(3-thienylmethyl)benzamide 4-chloro-3-iodo-N-methyl-N-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 8.85 -7.27 0 2 0 20 391.661 3 ↓

Analogs

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Popular Name: N,2-dimethyl-5-(methylsulfamoyl)-N-(3-thienylmethyl)benzamide N,2-dimethyl-5-(methylsulfamoyl)…

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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) 1.34 4.26 -16.14 1 5 0 66 338.454 5 ↓

Analogs

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Popular Name: 5-bromo-2-hydroxy-N-methyl-N-(3-thienylmethyl)benzamide 5-bromo-2-hydroxy-N-methyl-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) 3.17 6.31 -9.26 1 3 0 41 326.215 3 ↓

Analogs

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Popular Name: 3-amino-N-methyl-4-nitro-N-(3-thienylmethyl)benzamide 3-amino-N-methyl-4-nitro-N-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 6.05 -10.53 2 6 0 92 291.332 4 ↓

Analogs

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Popular Name: N-methyl-3-(methylamino)-4-nitro-N-(3-thienylmethyl)benzamide N-methyl-3-(methylamino)-4-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) 1.64 6.97 -11.49 1 6 0 78 305.359 5 ↓

Analogs

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Popular Name: 3-amino-N-[(5-bromo-3-thienyl)methyl]-N-methyl-4-nitro-benzamide 3-amino-N-[(5-bromo-3-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 6.78 -9.52 2 6 0 92 370.228 4 ↓

Analogs

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Popular Name: 3-hydrazino-N-methyl-4-nitro-N-(3-thienylmethyl)benzamide 3-hydrazino-N-methyl-4-nitro-N-(…

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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) 1.02 5.79 -11.18 3 7 0 104 306.347 5 ↓

Analogs

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Popular Name: 3-fluoro-N-methyl-4-nitro-N-(3-thienylmethyl)benzamide 3-fluoro-N-methyl-4-nitro-N-(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) 1.94 8.04 -13.54 0 5 0 66 294.307 4 ↓

Analogs

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Popular Name: N-[(5-bromo-3-thienyl)methyl]-3-fluoro-N-methyl-4-nitro-benzamide N-[(5-bromo-3-thienyl)methyl]-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) 2.87 8.77 -12.64 0 5 0 66 373.203 4 ↓

Analogs

42937491
42937491

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Popular Name: 2-hydroxy-4-methoxy-N-methyl-N-(3-thienylmethyl)benzamide 2-hydroxy-4-methoxy-N-methyl-N-(…

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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) 2.41 4.42 -15.23 1 4 0 50 277.345 4 ↓
Hi High (pH 8-9.5) 2.41 5.3 -60.12 0 4 -1 53 276.337 4 ↓

Analogs

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Popular Name: 3-amino-4-methoxy-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-4-methoxy-N-[(1S)-1-(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) 2.14 3.7 -9.66 3 4 0 64 276.361 4 ↓

Analogs

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Popular Name: 3-amino-4-methoxy-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-4-methoxy-N-[(1R)-1-(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) 2.14 3.7 -9.67 3 4 0 64 276.361 4 ↓

Analogs

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Popular Name: 2-amino-3-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-3-methyl-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 5.39 -7 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 2-amino-3-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-3-methyl-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 5.39 -7.05 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethoxy-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-4,5-dimethoxy-N-[(1S)-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) 1.73 3.85 -9.4 3 5 0 74 306.387 5 ↓

Analogs

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Popular Name: 2-amino-4,5-dimethoxy-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-4,5-dimethoxy-N-[(1R)-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) 1.73 3.85 -9.45 3 5 0 74 306.387 5 ↓

Analogs

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Popular Name: 3-amino-4-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-4-methyl-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.04 -9.17 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 3-amino-4-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-4-methyl-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.04 -9.19 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 3-amino-2-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-2-methyl-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 5.08 -8.16 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 3-amino-2-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-2-methyl-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 5.08 -8.05 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 2-amino-6-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-6-methyl-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 4.68 -7.77 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 2-amino-6-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-6-methyl-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 4.68 -7.63 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 4-amino-2-chloro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 4.79 -10.73 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 4-amino-2-chloro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 4.8 -10.76 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 4-amino-3-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 4-amino-3-methyl-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.05 -9.84 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 4-amino-3-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 4-amino-3-methyl-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 5.05 -9.83 3 3 0 55 260.362 3 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-5-chloro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.14 -5.74 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-5-chloro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.14 -5.75 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 4-amino-N-[(1S)-1-(3-thienyl)ethyl]benzamide 4-amino-N-[(1S)-1-(3-thienyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 4.28 -9.66 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 4-amino-N-[(1R)-1-(3-thienyl)ethyl]benzamide 4-amino-N-[(1R)-1-(3-thienyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 4.28 -9.64 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-4-chloro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.14 -6.32 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-4-chloro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 5.14 -6.39 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 5-amino-2-chloro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 4.79 -10.15 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 5-amino-2-chloro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 4.79 -10.15 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-4-chloro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 4.86 -7.94 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 3-amino-4-chloro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-4-chloro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 4.86 -7.93 3 3 0 55 280.78 3 ↓

Analogs

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Popular Name: 3-amino-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-N-[(1S)-1-(3-thienyl)eth…

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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) 1.73 4.27 -9.21 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 3-amino-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-N-[(1R)-1-(3-thienyl)eth…

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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) 1.73 4.27 -9.2 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 2-amino-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-N-[(1S)-1-(3-thienyl)eth…

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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) 2.11 4.63 -7.02 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 2-amino-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-N-[(1R)-1-(3-thienyl)eth…

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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) 2.11 4.62 -7.1 3 3 0 55 246.335 3 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-4-fluoro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.37 -8.4 3 3 0 55 264.325 3 ↓

Analogs

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Popular Name: 3-amino-4-fluoro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-4-fluoro-N-[(1R)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.37 -8.38 3 3 0 55 264.325 3 ↓

Analogs

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Popular Name: 5-amino-2-fluoro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 5-amino-2-fluoro-N-[(1S)-1-(3-th…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 4.36 -12.66 3 3 0 55 264.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 5-amino-2-fluoro-N-[(1R)-1-(3-th…

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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) 1.84 4.35 -12.66 3 3 0 55 264.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(1S)-1-(3-thienyl)ethyl]benzamide 3-amino-5-fluoro-4-methyl-N-[(1S…

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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) 2.63 5.08 -7.55 3 3 0 55 278.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(1R)-1-(3-thienyl)ethyl]benzamide 3-amino-5-fluoro-4-methyl-N-[(1R…

Find On: PubMed — Wikipedia — Google

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) 2.63 5.08 -7.56 3 3 0 55 278.352 3 ↓

Analogs

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Popular Name: 2-amino-5-fluoro-N-[(1S)-1-(3-thienyl)ethyl]benzamide 2-amino-5-fluoro-N-[(1S)-1-(3-th…

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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) 2.25 4.7 -6.19 3 3 0 55 264.325 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-fluoro-N-[(1R)-1-(3-thienyl)ethyl]benzamide 2-amino-5-fluoro-N-[(1R)-1-(3-th…

Find On: PubMed — Wikipedia — Google

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) 2.25 4.7 -6.17 3 3 0 55 264.325 3 ↓

Parameters Provided:

ring.id = 12850
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 = 12850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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