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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanenitrile (2R)-2-cyclopropyl-3-(1-cyclopro…

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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 5.51 -9.92 1 6 0 79 292.412 8 ↓
Lo Low (pH 4.5-6) 1.98 6.69 -50.02 2 6 1 84 293.42 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanenitrile (2S)-2-cyclopropyl-3-(1-cyclopro…

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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 5.46 -12.29 1 6 0 79 292.412 8 ↓
Lo Low (pH 4.5-6) 1.98 6.47 -50.74 2 6 1 84 293.42 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanenitrile (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.10 3.85 -10.33 1 6 0 79 264.358 6 ↓
Lo Low (pH 4.5-6) 1.10 5.09 -52.02 2 6 1 84 265.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanenitrile (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.10 4 -10.34 1 6 0 79 264.358 6 ↓
Lo Low (pH 4.5-6) 1.10 4.91 -53.19 2 6 1 84 265.366 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanenitrile (2S)-2-amino-2-cyclopropyl-3-(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) 0.72 3.74 -11.1 2 6 0 93 250.331 5 ↓
Lo Low (pH 4.5-6) 0.72 4.01 -56.58 3 6 1 95 251.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanenitrile (2R)-2-amino-2-cyclopropyl-3-(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) 0.72 3.26 -11.31 2 6 0 93 250.331 5 ↓
Lo Low (pH 4.5-6) 0.72 3.56 -57.27 3 6 1 95 251.339 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanenitrile (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.48 4.75 -10.07 1 6 0 79 278.385 7 ↓
Lo Low (pH 4.5-6) 1.48 5.93 -49.35 2 6 1 84 279.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanenitrile (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.48 4.71 -12.3 1 6 0 79 278.385 7 ↓
Lo Low (pH 4.5-6) 1.48 5.71 -50.03 2 6 1 84 279.393 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanenitrile (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.77 5.33 -10.34 1 6 0 79 292.412 7 ↓
Lo Low (pH 4.5-6) 1.77 6.23 -48.22 2 6 1 84 293.42 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanenitrile (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) 1.77 5.4 -12.22 1 6 0 79 292.412 7 ↓
Lo Low (pH 4.5-6) 1.77 6.34 -48.39 2 6 1 84 293.42 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) 1.18 4.61 -12.44 1 7 0 82 297.384 8 ↓
Mid Mid (pH 6-8) 1.18 5.92 -48.5 2 7 1 87 298.392 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) 1.18 4.74 -12.06 1 7 0 82 297.384 8 ↓
Mid Mid (pH 6-8) 1.18 5.93 -48.3 2 7 1 87 298.392 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanoic (2S)-2-cyclopropyl-3-(1-cyclopro…

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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 5.36 -39.92 2 7 0 100 283.357 7 ↓
Hi High (pH 8-9.5) -1.42 4.14 -46.27 1 7 -1 96 282.349 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanoic (2R)-2-cyclopropyl-3-(1-cyclopro…

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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 5.66 -37.98 2 7 0 100 283.357 7 ↓
Hi High (pH 8-9.5) -1.42 4.71 -43.01 1 7 -1 96 282.349 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanamide (2S)-2-cyclopropyl-3-(1-cyclopro…

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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 1.89 -53.88 4 7 1 103 283.381 7 ↓
Mid Mid (pH 6-8) 0.05 0.74 -12.87 3 7 0 99 282.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(methylamino)propanamide (2R)-2-cyclopropyl-3-(1-cyclopro…

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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 2.24 -53.81 4 7 1 103 283.381 7 ↓
Mid Mid (pH 6-8) 0.05 1.08 -12.22 3 7 0 99 282.373 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanamide (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) 0.72 3.26 -49.41 4 7 1 103 311.435 8 ↓
Hi High (pH 8-9.5) 0.72 2.04 -13.57 3 7 0 99 310.427 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanamide (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) 0.72 3.28 -40.83 4 7 1 103 311.435 8 ↓
Hi High (pH 8-9.5) 0.72 2.52 -11.49 3 7 0 99 310.427 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanoic (2S)-2-cyclopropyl-3-(1-cyclopro…

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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 6.95 -38.03 2 7 0 100 311.411 9 ↓
Hi High (pH 8-9.5) -0.54 5.76 -47.11 1 7 -1 96 310.403 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanoic (2R)-2-cyclopropyl-3-(1-cyclopro…

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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 7.24 -34.53 2 7 0 100 311.411 9 ↓
Hi High (pH 8-9.5) -0.54 6.29 -43.84 1 7 -1 96 310.403 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanamide (2S)-2-cyclopropyl-3-(1-cyclopro…

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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 3.46 -51.21 4 7 1 103 311.435 9 ↓
Mid Mid (pH 6-8) 0.92 2.42 -12.53 3 7 0 99 310.427 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(propylamino)propanamide (2R)-2-cyclopropyl-3-(1-cyclopro…

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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 3.82 -51.4 4 7 1 103 311.435 9 ↓
Mid Mid (pH 6-8) 0.92 2.74 -11.87 3 7 0 99 310.427 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanamide (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) 0.42 2.56 -50.71 4 7 1 103 297.408 8 ↓
Mid Mid (pH 6-8) 0.42 1.86 -13.02 3 7 0 99 296.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanamide (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) 0.42 3.05 -50.24 4 7 1 103 297.408 8 ↓
Mid Mid (pH 6-8) 0.42 1.96 -12.44 3 7 0 99 296.4 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) 0.80 4.33 -12.27 2 7 0 96 283.357 7 ↓
Lo Low (pH 4.5-6) 0.80 4.53 -53.57 3 7 1 98 284.365 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) 0.80 4.23 -12.7 2 7 0 96 283.357 7 ↓
Lo Low (pH 4.5-6) 0.80 4.49 -54.03 3 7 1 98 284.365 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanoic (2S)-2-amino-2-cyclopropyl-3-(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) -1.79 4.48 -40.4 3 7 0 111 269.33 6 ↓
Hi High (pH 8-9.5) -1.79 4.29 -46.1 2 7 -1 110 268.322 6 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanoic (2R)-2-amino-2-cyclopropyl-3-(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) -1.79 4.48 -40.16 3 7 0 111 269.33 6 ↓
Hi High (pH 8-9.5) -1.79 4.23 -45.42 2 7 -1 110 268.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanamide (2S)-2-amino-2-cyclopropyl-3-(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) -0.33 0.45 -58.3 5 7 1 114 269.354 6 ↓
Mid Mid (pH 6-8) -0.33 0.08 -12.63 4 7 0 113 268.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-propanamide (2R)-2-amino-2-cyclopropyl-3-(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) -0.33 0.86 -59.29 5 7 1 114 269.354 6 ↓
Mid Mid (pH 6-8) -0.33 0.55 -13.68 4 7 0 113 268.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanoic (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) -0.75 6.62 -37.47 2 7 0 100 311.411 8 ↓
Hi High (pH 8-9.5) -0.75 5.68 -47.13 1 7 -1 96 310.403 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)propanoic (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) -0.75 6.63 -34.3 2 7 0 100 311.411 8 ↓
Hi High (pH 8-9.5) -0.75 5.14 -42.42 1 7 -1 96 310.403 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) 1.18 5.19 -12.45 2 7 0 96 297.384 8 ↓
Mid Mid (pH 6-8) 1.18 5.46 -53.21 3 7 1 98 298.392 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) 1.18 5.2 -12.02 2 7 0 96 297.384 8 ↓
Mid Mid (pH 6-8) 1.18 5.41 -53.44 3 7 1 98 298.392 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) 1.55 6 -12.36 1 7 0 82 311.411 9 ↓
Mid Mid (pH 6-8) 1.55 6.68 -47.01 2 7 1 87 312.419 9 ↓

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) 1.55 6.27 -12.12 1 7 0 82 311.411 9 ↓
Mid Mid (pH 6-8) 1.55 6.71 -46.76 2 7 1 87 312.419 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanoic (2S)-2-cyclopropyl-3-(1-cyclopro…

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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) -1.04 6.19 -37.93 2 7 0 100 297.384 8 ↓
Hi High (pH 8-9.5) -1.04 5 -46.87 1 7 -1 96 296.376 8 ↓

Analogs

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Popular Name: (2R)-2-cyclopropyl-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)propanoic (2R)-2-cyclopropyl-3-(1-cyclopro…

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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) -1.04 6.47 -35.13 2 7 0 100 297.384 8 ↓
Hi High (pH 8-9.5) -1.04 5.52 -43.69 1 7 -1 96 296.376 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) 1.55 5.57 -12.27 1 7 0 82 311.411 9 ↓
Mid Mid (pH 6-8) 1.55 6.84 -47.72 2 7 1 87 312.419 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.55 5.58 -11.87 1 7 0 82 311.411 9 ↓
Mid Mid (pH 6-8) 1.55 6.85 -47.96 2 7 1 87 312.419 9 ↓

Parameters Provided:

ring.id = 272410
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 = 272410 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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