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

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Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenit (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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) 1.76 5.59 -10.47 2 6 0 87 307.423 8 ↓
Lo Low (pH 4.5-6) 1.76 6.78 -52.38 3 6 1 91 308.431 8 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenit (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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) 1.76 5.54 -11.78 2 6 0 87 307.423 8 ↓
Lo Low (pH 4.5-6) 1.76 6.56 -52.26 3 6 1 91 308.431 8 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanenit (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 3.91 -10.93 2 6 0 87 279.369 6 ↓
Lo Low (pH 4.5-6) 0.88 5.17 -54.18 3 6 1 91 280.377 6 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanenit (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 3.87 -11.97 2 6 0 87 279.369 6 ↓
Lo Low (pH 4.5-6) 0.88 4.99 -54.43 3 6 1 91 280.377 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile (2S)-2-amino-2-cyclopropyl-3-[(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) 0.51 3.4 -11.94 3 6 0 101 265.342 5 ↓
Lo Low (pH 4.5-6) 0.51 3.66 -59.34 4 6 1 102 266.35 5 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile (2R)-2-amino-2-cyclopropyl-3-[(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) 0.51 3.34 -11.95 3 6 0 101 265.342 5 ↓
Lo Low (pH 4.5-6) 0.51 3.64 -59.91 4 6 1 102 266.35 5 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanenitr (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 4.83 -10.64 2 6 0 87 293.396 7 ↓
Lo Low (pH 4.5-6) 1.26 6.01 -51.61 3 6 1 91 294.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanenitr (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 4.78 -11.8 2 6 0 87 293.396 7 ↓
Lo Low (pH 4.5-6) 1.26 5.8 -51.49 3 6 1 91 294.404 7 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(isopropylamino)propane (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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) 1.56 5.43 -11.56 2 6 0 87 307.423 7 ↓
Lo Low (pH 4.5-6) 1.56 6.21 -51.78 3 6 1 91 308.431 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(isopropylamino)propane (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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) 1.56 5.33 -10.96 2 6 0 87 307.423 7 ↓
Lo Low (pH 4.5-6) 1.56 6.27 -51.58 3 6 1 91 308.431 7 ↓

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) 0.96 4.68 -11.3 2 7 0 89 312.395 8 ↓
Mid Mid (pH 6-8) 0.96 6 -49.14 3 7 1 94 313.403 8 ↓

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) 0.96 5.46 -11.12 2 7 0 89 312.395 8 ↓
Mid Mid (pH 6-8) 0.96 5.97 -50.14 3 7 1 94 313.403 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 5.44 -38.35 3 7 0 107 298.368 7 ↓
Hi High (pH 8-9.5) -1.63 4.21 -43.51 2 7 -1 103 297.36 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanoic (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 5.74 -38.51 3 7 0 107 298.368 7 ↓
Hi High (pH 8-9.5) -1.63 4.78 -41.88 2 7 -1 103 297.36 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamid (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 1.97 -54.95 5 7 1 110 298.392 7 ↓
Mid Mid (pH 6-8) -0.17 0.84 -12.61 4 7 0 106 297.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanamid (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 2.32 -54.74 5 7 1 110 298.392 7 ↓
Mid Mid (pH 6-8) -0.17 1.17 -12.42 4 7 0 106 297.384 7 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanamide (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 2.78 -51.97 5 7 1 110 312.419 8 ↓
Mid Mid (pH 6-8) 0.21 1.73 -12.27 4 7 0 106 311.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanamide (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 3.14 -52.23 5 7 1 110 312.419 8 ↓
Mid Mid (pH 6-8) 0.21 2.07 -11.67 4 7 0 106 311.411 8 ↓

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) 0.59 4.4 -11.19 3 7 0 103 298.368 7 ↓
Lo Low (pH 4.5-6) 0.59 4.61 -54.13 4 7 1 105 299.376 7 ↓

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) 0.59 4.3 -11.63 3 7 0 103 298.368 7 ↓
Lo Low (pH 4.5-6) 0.59 4.58 -54.73 4 7 1 105 299.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic (2S)-2-amino-2-cyclopropyl-3-[(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) -2.01 4.56 -40.65 4 7 0 118 284.341 6 ↓
Hi High (pH 8-9.5) -2.01 4.38 -44.97 3 7 -1 117 283.333 6 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic (2R)-2-amino-2-cyclopropyl-3-[(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) -2.01 4.56 -40.87 4 7 0 118 284.341 6 ↓
Hi High (pH 8-9.5) -2.01 4.31 -44.55 3 7 -1 117 283.333 6 ↓

Analogs

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Popular Name: (2S)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (2S)-2-amino-2-cyclopropyl-3-[(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) -0.54 0.53 -59.23 6 7 1 121 284.365 6 ↓
Mid Mid (pH 6-8) -0.54 0.2 -14.01 5 7 0 120 283.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (2R)-2-amino-2-cyclopropyl-3-[(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) -0.54 0.95 -60.97 6 7 1 121 284.365 6 ↓
Mid Mid (pH 6-8) -0.54 0.14 -13.09 5 7 0 120 283.357 6 ↓

Analogs

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Popular Name: ethyl 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) 0.96 5.26 -11.3 3 7 0 103 312.395 8 ↓
Mid Mid (pH 6-8) 0.96 5.54 -53.55 4 7 1 105 313.403 8 ↓

Analogs

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Popular Name: ethyl 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) 0.96 5.27 -10.95 3 7 0 103 312.395 8 ↓
Mid Mid (pH 6-8) 0.96 5.49 -54.2 4 7 1 105 313.403 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanoic (2S)-2-cyclopropyl-3-[(4-cyclopr…

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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 6.27 -36.39 3 7 0 107 312.395 8 ↓
Hi High (pH 8-9.5) -1.26 5.08 -44.03 2 7 -1 103 311.387 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(ethylamino)propanoic (2R)-2-cyclopropyl-3-[(4-cyclopr…

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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 6.53 -34.7 3 7 0 107 312.395 8 ↓
Hi High (pH 8-9.5) -1.26 5.36 -43.91 2 7 -1 103 311.387 8 ↓

Parameters Provided:

ring.id = 272630
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 272630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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