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Analogs

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Popular Name: 5-amino-2-chloro-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-chloro-N-cyclopropyl-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) 1.44 4.89 -10.94 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 5-amino-2-chloro-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-2-chloro-N-cyclopropyl-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) 1.44 5.1 -12.43 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-4-chloro-N-cyclopropyl-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) 1.85 5.4 -6.57 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 2-amino-4-chloro-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-4-chloro-N-cyclopropyl-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) 1.85 5.26 -8.05 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 4-amino-2-chloro-N-cyclopropyl-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) 1.44 4.9 -11.01 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 4-amino-2-chloro-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 4-amino-2-chloro-N-cyclopropyl-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) 1.44 5.11 -12.85 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-5-chloro-N-cyclopropyl-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) 1.85 5.4 -6.41 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 2-amino-5-chloro-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-5-chloro-N-cyclopropyl-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) 1.85 5.25 -7.27 2 4 0 56 294.782 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-4-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-4-methoxy-…

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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) 1.22 3.83 -10.03 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-4-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-4-methoxy-…

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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) 1.22 4.08 -11.6 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-2-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) 1.59 5.44 -8.47 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-2-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) 1.59 5.34 -9.86 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-3-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-3-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) 1.59 5.64 -7.26 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-3-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-3-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) 1.59 5.51 -8.6 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-6-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-6-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) 1.59 5.07 -7.72 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-6-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-6-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) 1.59 5.42 -9.3 2 4 0 56 274.364 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-4-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-4-fluoro-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) 1.33 4.5 -8.57 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-4-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-4-fluoro-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) 1.33 4.74 -10.27 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2-fluoro-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) 0.92 4.46 -13.32 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2-fluoro-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) 0.92 4.67 -14.97 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-5-fluoro-4-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-5-fluoro-4…

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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) 1.71 5.21 -7.55 2 4 0 56 292.354 4 ↓

Analogs

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Popular Name: 3-amino-N-cyclopropyl-5-fluoro-4-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-5-fluoro-4…

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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) 1.71 5.46 -9.12 2 4 0 56 292.354 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-5-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-5-methoxy-…

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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) 1.22 4.17 -7.8 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-5-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-5-methoxy-…

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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) 1.22 4.03 -8.67 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 3-amino-4-bromo-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-bromo-N-cyclopropyl-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) 1.98 5.1 -8.07 2 4 0 56 339.233 4 ↓

Analogs

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Popular Name: 3-amino-4-bromo-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4-bromo-N-cyclopropyl-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) 1.98 5.35 -9.66 2 4 0 56 339.233 4 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2-methoxy-…

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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) 1.37 4.57 -12.57 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2-methoxy-…

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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) 1.37 4.47 -13.72 2 5 0 65 290.363 5 ↓

Analogs

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Popular Name: 2,4-diamino-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2,4-diamino-N-cyclopropyl-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) 0.24 2.77 -8.07 4 5 0 82 275.352 4 ↓

Analogs

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Popular Name: 2,4-diamino-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2,4-diamino-N-cyclopropyl-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) 0.24 2.61 -9.44 4 5 0 82 275.352 4 ↓

Analogs

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Popular Name: 3,5-diamino-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3,5-diamino-N-cyclopropyl-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) -0.16 2.28 -10.36 4 5 0 82 275.352 4 ↓

Analogs

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Popular Name: 3,5-diamino-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3,5-diamino-N-cyclopropyl-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) -0.16 2.51 -11.44 4 5 0 82 275.352 4 ↓

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4,5-dichloro-N-cycloprop…

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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) 2.45 5.45 -6.53 2 4 0 56 329.227 4 ↓

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-4,5-dichloro-N-cycloprop…

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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) 2.45 5.7 -8.23 2 4 0 56 329.227 4 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2,4-difluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2,4-difluo…

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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) 1.42 4.54 -11.49 2 4 0 56 296.317 4 ↓

Analogs

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Popular Name: 5-amino-N-cyclopropyl-2,4-difluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 5-amino-N-cyclopropyl-2,4-difluo…

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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) 1.42 4.77 -13.73 2 4 0 56 296.317 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(ethylamino)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide N-cyclopropyl-2-(ethylamino)-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) 1.94 6.69 -7.37 1 4 0 42 288.391 6 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(ethylamino)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide N-cyclopropyl-2-(ethylamino)-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) 1.94 6.52 -8.57 1 4 0 42 288.391 6 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-4-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-4-fluoro-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) 1.33 4.95 -6.93 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: 2-amino-N-cyclopropyl-4-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-4-fluoro-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) 1.33 4.81 -8.46 2 4 0 56 278.327 4 ↓

Analogs

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Popular Name: N-cyclopropyl-3,4,5-trifluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide N-cyclopropyl-3,4,5-trifluoro-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) 2.10 6.72 -6.94 0 3 0 30 299.292 4 ↓

Analogs

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Popular Name: N-cyclopropyl-3,4,5-trifluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide N-cyclopropyl-3,4,5-trifluoro-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) 2.10 6.95 -9.51 0 3 0 30 299.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-4-methoxy-3-nitro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide N-cyclopropyl-4-methoxy-3-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) 1.70 7.58 -20.76 0 7 0 85 320.345 6 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 7.77 -9.23 0 8 0 102 348.355 7 ↓

Analogs

37504587
37504587
37504588
37504588
36227338
36227338
36227339
36227339
36200145
36200145

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopropyl-5-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-5-fluoro-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) 1.33 4.95 -6.87 2 4 0 56 278.327 4 ↓

Analogs

37504587
37504587
37504588
37504588
36227338
36227338
36227339
36227339
36200145
36200145

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopropyl-5-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 2-amino-N-cyclopropyl-5-fluoro-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) 1.33 4.8 -7.68 2 4 0 56 278.327 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 4-(aminomethyl)-N-cyclopropyl-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) 0.94 4.57 -57.66 3 4 1 57 275.372 5 ↓
Hi High (pH 8-9.5) 0.94 4.17 -8.79 2 4 0 56 274.364 5 ↓

Analogs

46936765
46936765

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 4-(aminomethyl)-N-cyclopropyl-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) 0.94 4.81 -56.6 3 4 1 57 275.372 5 ↓
Hi High (pH 8-9.5) 0.94 4.41 -9.72 2 4 0 56 274.364 5 ↓

Analogs

41375720
41375720
41375723
41375723
44940901
44940901
44940905
44940905
46936765
46936765

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-N-[[(3S)-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) 0.81 4.4 -9.65 2 4 0 56 260.337 4 ↓

Analogs

41375720
41375720
41375723
41375723
44940901
44940901
44940905
44940905
46936765
46936765

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]benzamide 3-amino-N-cyclopropyl-N-[[(3R)-t…

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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) 0.81 4.65 -10.92 2 4 0 56 260.337 4 ↓

Parameters Provided:

ring.id = 14454
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 = 14454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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