UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-2-[[2-(cyclopropylamino)acetyl]amino]-2-phenyl-propanoic (2R)-2-[[2-(cyclopropylamino)ace…

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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 6.44 -58.69 3 5 0 86 262.309 6 ↓
Hi High (pH 8-9.5) 1.34 5.16 -55.59 2 5 -1 81 261.301 6 ↓

Analogs

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Popular Name: (2S)-2-[[2-(cyclopropylamino)acetyl]amino]-2-phenyl-propanoic (2S)-2-[[2-(cyclopropylamino)ace…

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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 6.44 -58.97 3 5 0 86 262.309 6 ↓
Hi High (pH 8-9.5) 1.34 5.17 -57.18 2 5 -1 81 261.301 6 ↓

Analogs

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Popular Name: 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide 2-(cyclopropylamino)-N-[(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) 1.40 5.26 -45.85 3 6 1 92 250.278 6 ↓
Hi High (pH 8-9.5) 1.40 3.96 -11.91 2 6 0 87 249.27 6 ↓

Analogs

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Popular Name: 2-(cyclopropylamino)-N-[(1S)-2-hydroxy-1-phenyl-ethyl]acetamide 2-(cyclopropylamino)-N-[(1S)-2-h…

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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 2.2 -38.54 4 4 1 66 235.307 6 ↓
Hi High (pH 8-9.5) 1.02 0.93 -7.57 3 4 0 61 234.299 6 ↓

Analogs

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Popular Name: 2-(cyclopropylamino)-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide 2-(cyclopropylamino)-N-[(1R)-2-h…

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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 2.2 -38.53 4 4 1 66 235.307 6 ↓
Hi High (pH 8-9.5) 1.02 0.92 -7.6 3 4 0 61 234.299 6 ↓

Analogs

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Popular Name: 2-[cyanomethyl(cyclopropyl)amino]-N-[(2-methoxyphenyl)methyl]-N-methyl-acetamide 2-[cyanomethyl(cyclopropyl)amino…

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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) 1.25 6.81 -15.36 0 5 0 57 287.363 7 ↓
Mid Mid (pH 6-8) 1.25 9.47 -43.88 1 5 1 58 288.371 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(4-isopropoxyphenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 2.51 7.29 -35.38 2 4 1 43 277.388 7 ↓
Hi High (pH 8-9.5) 2.51 4.91 -8.11 1 4 0 42 276.38 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 1.62 6.31 -36.21 2 4 1 43 263.361 7 ↓
Hi High (pH 8-9.5) 1.62 4.08 -7.39 1 4 0 42 262.353 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 1.67 6.18 -34.69 2 4 1 43 263.361 7 ↓
Hi High (pH 8-9.5) 1.67 3.78 -8.14 1 4 0 42 262.353 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(3-ureidophenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 0.82 2.52 -39.65 5 6 1 89 277.348 6 ↓
Hi High (pH 8-9.5) 0.82 0.13 -15.57 4 6 0 87 276.34 6 ↓

Analogs

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Popular Name: N-[(3-acetamidophenyl)methyl]-2-[cyclopropyl(methyl)amino]acetamide N-[(3-acetamidophenyl)methyl]-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) 0.91 5.35 -36.31 3 5 1 63 276.36 6 ↓
Hi High (pH 8-9.5) 0.91 2.94 -13.67 2 5 0 61 275.352 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(3-ethoxyphenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 2.12 6.67 -34.66 2 4 1 43 263.361 7 ↓
Hi High (pH 8-9.5) 2.12 4.28 -8.45 1 4 0 42 262.353 7 ↓

Analogs

37810252
37810252
37810256
37810256
37810257
37810257

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(2-nitrophenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 1.63 7.25 -37.67 2 6 1 79 264.305 6 ↓
Hi High (pH 8-9.5) 1.63 5.02 -13.06 1 6 0 78 263.297 6 ↓

Analogs

37806050
37806050
37811131
37811131

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Popular Name: 4-[[[2-[cyclopropyl(methyl)amino]acetyl]amino]methyl]benzamide 4-[[[2-[cyclopropyl(methyl)amino…

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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) 0.53 3.23 -42.37 4 5 1 77 262.333 6 ↓
Hi High (pH 8-9.5) 0.53 0.83 -13.61 3 5 0 75 261.325 6 ↓

Analogs

37806050
37806050
37806054
37806054
37806055
37806055
37811131
37811131
37811135
37811135

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Popular Name: 4-[[[2-[cyclopropyl(methyl)amino]acetyl]-methyl-amino]methyl]benzamide 4-[[[2-[cyclopropyl(methyl)amino…

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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) 0.28 5.3 -41.15 3 5 1 68 276.36 6 ↓
Hi High (pH 8-9.5) 0.28 2.9 -12.62 2 5 0 67 275.352 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(4-ureidophenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 0.85 2.52 -39.86 5 6 1 89 277.348 6 ↓
Hi High (pH 8-9.5) 0.85 0.13 -13.99 4 6 0 87 276.34 6 ↓

Analogs

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Popular Name: 3-[[[2-[cyclopropyl(methyl)amino]acetyl]amino]methyl]-N-methyl-benzamide 3-[[[2-[cyclopropyl(methyl)amino…

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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) 0.88 4.72 -40.01 3 5 1 63 276.36 6 ↓
Hi High (pH 8-9.5) 0.88 2.32 -14.75 2 5 0 61 275.352 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(1S)-1-(3-nitrophenyl)ethyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 2.21 8 -45.58 2 6 1 79 278.332 6 ↓
Hi High (pH 8-9.5) 2.21 5.77 -13.86 1 6 0 78 277.324 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(1R)-1-(3-nitrophenyl)ethyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 2.21 8 -45.39 2 6 1 79 278.332 6 ↓
Hi High (pH 8-9.5) 2.21 5.77 -13.68 1 6 0 78 277.324 6 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(3-isopropoxyphenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 2.49 7.29 -35.86 2 4 1 43 277.388 7 ↓
Hi High (pH 8-9.5) 2.49 4.91 -8 1 4 0 42 276.38 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 1.64 6.17 -34.32 2 4 1 43 263.361 7 ↓
Hi High (pH 8-9.5) 1.64 3.77 -8.14 1 4 0 42 262.353 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl(methyl)amino]-N-[(4-methylsulfonylphenyl)methyl]acetamide 2-[cyclopropyl(methyl)amino]-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) 0.58 3.99 -45.31 2 5 1 68 297.4 6 ↓
Hi High (pH 8-9.5) 0.58 1.59 -16.2 1 5 0 66 296.392 6 ↓

Analogs

44722720
44722720
44722722
44722722

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Popular Name: 2-[3-aminopropyl(cyclopropyl)amino]-N-benzyl-acetamide 2-[3-aminopropyl(cyclopropyl)ami…

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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) 0.79 3.27 -43.85 4 4 1 60 262.377 8 ↓
Mid Mid (pH 6-8) 0.79 4.84 -34.39 4 4 1 60 262.377 8 ↓

Analogs

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Popular Name: 2-[[2-(benzylamino)-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-(benzylamino)-2-oxo-ethyl]…

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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) 0.05 7.01 -38.89 2 5 0 74 262.309 7 ↓
Hi High (pH 8-9.5) 0.05 5 -48.67 1 5 -1 72 261.301 7 ↓

Analogs

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Popular Name: 2-[[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[(4-chlorophenyl)methylami…

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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) 0.73 7.53 -39.84 2 5 0 74 296.754 7 ↓
Hi High (pH 8-9.5) 0.73 5.52 -47.55 1 5 -1 72 295.746 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[(2-chlorophenyl)methylami…

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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) 0.68 7.42 -39.14 2 5 0 74 296.754 7 ↓
Hi High (pH 8-9.5) 0.68 5.42 -50.95 1 5 -1 72 295.746 7 ↓

Analogs

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Popular Name: 2-[[2-[benzyl(methyl)amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[benzyl(methyl)amino]-2-ox…

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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) -0.21 9.08 -40.75 1 5 0 65 276.336 7 ↓
Hi High (pH 8-9.5) -0.21 7.07 -51.95 0 5 -1 64 275.328 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-oxo-2-(p-tolylmethylamino)ethyl]amino]acetic 2-[cyclopropyl-[2-oxo-2-(p-tolyl…

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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) 0.50 7.68 -38.8 2 5 0 74 276.336 7 ↓
Hi High (pH 8-9.5) 0.50 5.68 -48.65 1 5 -1 72 275.328 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetic 2-[cyclopropyl-[2-oxo-2-[[(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) 0.61 7.9 -29.14 2 5 0 74 276.336 7 ↓
Hi High (pH 8-9.5) 0.61 6.05 -48.84 1 5 -1 72 275.328 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetic 2-[cyclopropyl-[2-oxo-2-[[(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) 0.61 7.9 -30.16 2 5 0 74 276.336 7 ↓
Hi High (pH 8-9.5) 0.61 6.05 -49.32 1 5 -1 72 275.328 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(4-fluorophen…

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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) 0.21 7.07 -40.52 2 5 0 74 280.299 7 ↓
Hi High (pH 8-9.5) 0.21 5.07 -47.93 1 5 -1 72 279.291 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1R)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(1R)-1-(o-to…

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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) 1.01 8.39 -30.16 2 5 0 74 290.363 7 ↓
Hi High (pH 8-9.5) 1.01 6.55 -49.34 1 5 -1 72 289.355 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1S)-1-(o-tolyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(1S)-1-(o-to…

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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) 1.01 8.47 -29.32 2 5 0 74 290.363 7 ↓
Hi High (pH 8-9.5) 1.01 6.65 -49.14 1 5 -1 72 289.355 7 ↓

Analogs

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Popular Name: 2-[[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[(3-chlorophenyl)methyl-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) 0.45 9.59 -43.58 1 5 0 65 310.781 7 ↓
Hi High (pH 8-9.5) 0.45 7.59 -53.58 0 5 -1 64 309.773 7 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[[(1S)-1-(4-bromophenyl)et…

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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 8.52 -29.88 2 5 0 74 355.232 7 ↓
Hi High (pH 8-9.5) 1.42 6.67 -47.67 1 5 -1 72 354.224 7 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[[(1R)-1-(4-bromophenyl)et…

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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 8.52 -31.01 2 5 0 74 355.232 7 ↓
Hi High (pH 8-9.5) 1.42 6.68 -48.27 1 5 -1 72 354.224 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(3-fluoro-4-m…

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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) 0.59 7.72 -40.12 2 5 0 74 294.326 7 ↓
Hi High (pH 8-9.5) 0.59 5.71 -47.98 1 5 -1 72 293.318 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(4-fluoro-3-methyl-phenyl)methylamino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(4-fluoro-3-m…

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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) 0.59 7.71 -40.53 2 5 0 74 294.326 7 ↓
Hi High (pH 8-9.5) 0.59 5.7 -47.92 1 5 -1 72 293.318 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[methyl-[(1S)-…

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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) 0.35 10.09 -29.13 1 5 0 65 290.363 7 ↓
Hi High (pH 8-9.5) 0.35 8.23 -50.04 0 5 -1 64 289.355 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[methyl-[(1R)-…

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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) 0.35 9.31 -30.56 1 5 0 65 290.363 7 ↓
Hi High (pH 8-9.5) 0.35 7.48 -51.22 0 5 -1 64 289.355 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(2-fluorophen…

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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) -0.09 9.1 -43.68 1 5 0 65 294.326 7 ↓
Hi High (pH 8-9.5) -0.09 7.1 -56.38 0 5 -1 64 293.318 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[(3-methoxyphe…

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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) 0.08 6.31 -40.06 2 6 0 83 292.335 8 ↓
Hi High (pH 8-9.5) 0.08 4.29 -49.57 1 6 -1 82 291.327 8 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(1S)-1-(4-fl…

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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) 0.77 7.96 -30.55 2 5 0 74 294.326 7 ↓
Hi High (pH 8-9.5) 0.77 6.12 -48.15 1 5 -1 72 293.318 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[[(1R)-1-(4-fl…

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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) 0.77 7.97 -31.71 2 5 0 74 294.326 7 ↓
Hi High (pH 8-9.5) 0.77 6.12 -48.75 1 5 -1 72 293.318 7 ↓

Analogs

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Popular Name: 2-[[2-[benzyl(ethyl)amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[benzyl(ethyl)amino]-2-oxo…

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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) 0.17 10 -39.5 1 5 0 65 290.363 8 ↓
Hi High (pH 8-9.5) 0.17 7.99 -51.8 0 5 -1 64 289.355 8 ↓

Analogs

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Popular Name: 2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[[(1S)-1-(2-chlorophenyl)e…

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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) 1.24 8.36 -30.4 2 5 0 74 310.781 7 ↓
Hi High (pH 8-9.5) 1.24 6.54 -50.04 1 5 -1 72 309.773 7 ↓

Analogs

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Popular Name: 2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[[(1R)-1-(2-chlorophenyl)e…

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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) 1.24 8.33 -31.35 2 5 0 74 310.781 7 ↓
Hi High (pH 8-9.5) 1.24 6.49 -50.38 1 5 -1 72 309.773 7 ↓

Analogs

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Popular Name: 2-[[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]-cyclopropyl-amino]acetic 2-[[2-[(2-bromophenyl)methyl-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) 0.55 10.24 -41.51 1 5 0 65 355.232 7 ↓
Hi High (pH 8-9.5) 0.55 8.25 -48.93 0 5 -1 64 354.224 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[methyl(o-toly…

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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) 0.19 10.21 -41.36 1 5 0 65 290.363 7 ↓
Hi High (pH 8-9.5) 0.19 8.2 -53.04 0 5 -1 64 289.355 7 ↓

Analogs

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Popular Name: 2-[cyclopropyl-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]amino]acetic 2-[cyclopropyl-[2-[methyl(p-toly…

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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 9.74 -40.78 1 5 0 65 290.363 7 ↓
Hi High (pH 8-9.5) 0.24 7.75 -52.3 0 5 -1 64 289.355 7 ↓

Parameters Provided:

ring.id = 30382
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 = 30382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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