UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1R)-2-(cyclopentoxy)-1-cyclopropyl-ethyl]propan-1-amine N-[(1R)-2-(cyclopentoxy)-1-cyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 7.24 -33.91 2 2 1 26 212.357 7 ↓

Analogs

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Popular Name: N-[(1S)-2-(cyclopentoxy)-1-cyclopropyl-ethyl]propan-1-amine N-[(1S)-2-(cyclopentoxy)-1-cyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 7.2 -33.67 2 2 1 26 212.357 7 ↓

Analogs

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Popular Name: (1R)-2-(cyclopentoxy)-1-cyclopropyl-ethanamine (1R)-2-(cyclopentoxy)-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) 1.43 3.93 -36.6 3 2 1 37 170.276 4 ↓

Analogs

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Popular Name: (1S)-2-(cyclopentoxy)-1-cyclopropyl-ethanamine (1S)-2-(cyclopentoxy)-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) 1.43 4.12 -36.72 3 2 1 37 170.276 4 ↓

Analogs

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Popular Name: (1R)-2-(cyclopentoxy)-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-(cyclopentoxy)-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) 2.71 6.68 -33.05 2 2 1 26 198.33 6 ↓

Analogs

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Popular Name: (1S)-2-(cyclopentoxy)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(cyclopentoxy)-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) 2.71 6.47 -32.64 2 2 1 26 198.33 6 ↓

Analogs

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Popular Name: (1R)-2-(cyclopentoxy)-1-cyclopropyl-N-methyl-ethanamine (1R)-2-(cyclopentoxy)-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) 2.34 5.76 -33.42 2 2 1 26 184.303 5 ↓

Analogs

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Popular Name: (1S)-2-(cyclopentoxy)-1-cyclopropyl-N-methyl-ethanamine (1S)-2-(cyclopentoxy)-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) 2.34 6.08 -33.91 2 2 1 26 184.303 5 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-(cyclopentoxy)-2-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) 2.19 4.17 -6.48 1 3 0 45 208.305 5 ↓
Lo Low (pH 4.5-6) 2.19 5.35 -46.42 2 3 1 50 209.313 5 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-(cyclopentoxy)-2-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) 2.19 4.19 -6.63 1 3 0 45 208.305 5 ↓
Lo Low (pH 4.5-6) 2.19 5.35 -46.78 2 3 1 50 209.313 5 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile (2R)-3-(cyclopentoxy)-2-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) 2.57 5.82 -5.05 1 3 0 45 222.332 6 ↓
Lo Low (pH 4.5-6) 2.57 6.53 -44.69 2 3 1 50 223.34 6 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-(cyclopentoxy)-2-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) 2.57 5.66 -6.92 1 3 0 45 222.332 6 ↓
Lo Low (pH 4.5-6) 2.57 6.53 -45.08 2 3 1 50 223.34 6 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(cyclopentoxy)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(cyclopentoxy)-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) 1.82 3.59 -7.03 2 3 0 59 194.278 4 ↓
Lo Low (pH 4.5-6) 1.82 3.91 -46.85 3 3 1 61 195.286 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(cyclopentoxy)-2-cyclopropyl-propanenitrile (2R)-2-amino-3-(cyclopentoxy)-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) 1.82 3.96 -7.39 2 3 0 59 194.278 4 ↓
Lo Low (pH 4.5-6) 1.82 4.32 -46.12 3 3 1 61 195.286 4 ↓

Analogs

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Popular Name: (1R)-2-(cyclopentoxy)-1-cyclopropyl-ethanol (1R)-2-(cyclopentoxy)-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) 1.92 3.49 -3.59 1 2 0 29 170.252 4 ↓

Analogs

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Popular Name: (1S)-2-(cyclopentoxy)-1-cyclopropyl-ethanol (1S)-2-(cyclopentoxy)-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) 1.92 3.71 -3.44 1 2 0 29 170.252 4 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanenitrile (2R)-3-(cyclopentoxy)-2-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) 3.07 6.57 -4.99 1 3 0 45 236.359 7 ↓
Lo Low (pH 4.5-6) 3.07 7.29 -45.66 2 3 1 50 237.367 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanenitrile (2S)-3-(cyclopentoxy)-2-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) 3.07 6.42 -6.86 1 3 0 45 236.359 7 ↓
Lo Low (pH 4.5-6) 3.07 7.29 -46.06 2 3 1 50 237.367 7 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2R)-3-(cyclopentoxy)-2-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) 2.87 6.39 -4.82 1 3 0 45 236.359 6 ↓
Lo Low (pH 4.5-6) 2.87 6.74 -43.86 2 3 1 50 237.367 6 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-(cyclopentoxy)-2-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) 2.87 6.28 -7.01 1 3 0 45 236.359 6 ↓
Lo Low (pH 4.5-6) 2.87 6.81 -44.25 2 3 1 50 237.367 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) 3.15 6.8 -4.98 1 4 0 48 269.385 9 ↓
Mid Mid (pH 6-8) 3.15 7.97 -39.71 2 4 1 52 270.393 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) 3.15 7.22 -5.37 1 4 0 48 269.385 9 ↓
Mid Mid (pH 6-8) 3.15 7.74 -40.09 2 4 1 52 270.393 9 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanamide (2R)-3-(cyclopentoxy)-2-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) 2.02 4.28 -44.94 4 4 1 69 255.382 8 ↓
Hi High (pH 8-9.5) 2.02 3.15 -7.33 3 4 0 64 254.374 8 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanamide (2S)-3-(cyclopentoxy)-2-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) 2.02 3.91 -45.7 4 4 1 69 255.382 8 ↓
Hi High (pH 8-9.5) 2.02 2.69 -7.51 3 4 0 64 254.374 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanoic (2R)-3-(cyclopentoxy)-2-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 7.6 -34.7 2 4 0 66 241.331 7 ↓
Hi High (pH 8-9.5) 0.05 6.25 -46.69 1 4 -1 61 240.323 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanoic (2S)-3-(cyclopentoxy)-2-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 7.59 -35.2 2 4 0 66 241.331 7 ↓
Hi High (pH 8-9.5) 0.05 6.91 -48.06 1 4 -1 61 240.323 7 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanamide (2R)-3-(cyclopentoxy)-2-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) 1.81 4.2 -43.23 4 4 1 69 255.382 7 ↓
Hi High (pH 8-9.5) 1.81 2.76 -5.96 3 4 0 64 254.374 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanamide (2S)-3-(cyclopentoxy)-2-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) 1.81 4.26 -32.99 4 4 1 69 255.382 7 ↓
Hi High (pH 8-9.5) 1.81 2.59 -7.35 3 4 0 64 254.374 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) 2.65 5.88 -3.52 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.65 7.21 -39.01 2 4 1 52 256.366 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) 2.65 6.47 -3.93 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.65 6.98 -39.43 2 4 1 52 256.366 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanoic (2R)-3-(cyclopentoxy)-2-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) 0.35 7.98 -35.8 2 4 0 66 255.358 7 ↓
Hi High (pH 8-9.5) 0.35 6.95 -48.73 1 4 -1 61 254.35 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(isopropylamino)propanoic (2S)-3-(cyclopentoxy)-2-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) 0.35 7.59 -34.7 2 4 0 66 255.358 7 ↓
Hi High (pH 8-9.5) 0.35 7.45 -48.5 1 4 -1 61 254.35 7 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanamide (2R)-3-(cyclopentoxy)-2-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) 1.52 3.52 -44.16 4 4 1 69 241.355 7 ↓
Hi High (pH 8-9.5) 1.52 2.39 -7.41 3 4 0 64 240.347 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(ethylamino)propanamide (2S)-3-(cyclopentoxy)-2-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) 1.52 3.15 -44.86 4 4 1 69 241.355 7 ↓
Hi High (pH 8-9.5) 1.52 1.94 -7.58 3 4 0 64 240.347 7 ↓

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) 2.65 6.4 -3.48 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.65 7.59 -33.18 2 4 1 52 256.366 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) 2.65 5.84 -3.97 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.65 7.21 -33.46 2 4 1 52 256.366 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) 3.32 8.36 -29.93 2 4 1 52 284.42 9 ↓
Mid Mid (pH 6-8) 3.32 7.72 -3.23 1 4 0 48 283.412 9 ↓

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) 3.32 8.4 -30.89 2 4 1 52 284.42 9 ↓
Mid Mid (pH 6-8) 3.32 7.52 -3.6 1 4 0 48 283.412 9 ↓

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) 3.53 8.9 -39.19 2 4 1 52 284.42 10 ↓
Mid Mid (pH 6-8) 3.53 7.73 -4.88 1 4 0 48 283.412 10 ↓

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) 3.53 8.67 -39.6 2 4 1 52 284.42 10 ↓
Mid Mid (pH 6-8) 3.53 8.13 -5.27 1 4 0 48 283.412 10 ↓

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) 2.94 6.51 -4.92 1 4 0 48 269.385 8 ↓
Mid Mid (pH 6-8) 2.94 7.48 -31.19 2 4 1 52 270.393 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) 2.94 6.97 -5.45 1 4 0 48 269.385 8 ↓
Mid Mid (pH 6-8) 2.94 7.5 -31.01 2 4 1 52 270.393 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanoic (2R)-3-(cyclopentoxy)-2-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) 0.56 8.36 -34.08 2 4 0 66 255.358 8 ↓
Hi High (pH 8-9.5) 0.56 7.01 -46.99 1 4 -1 61 254.35 8 ↓

Analogs

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Popular Name: (2S)-3-(cyclopentoxy)-2-cyclopropyl-2-(propylamino)propanoic (2S)-3-(cyclopentoxy)-2-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) 0.56 8.36 -34.44 2 4 0 66 255.358 8 ↓
Hi High (pH 8-9.5) 0.56 7.67 -48.31 1 4 -1 61 254.35 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) 3.02 7.97 -31.79 2 4 1 52 270.393 9 ↓
Mid Mid (pH 6-8) 3.02 6.8 -3.47 1 4 0 48 269.385 9 ↓

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) 3.02 7.95 -31.35 2 4 1 52 270.393 9 ↓
Mid Mid (pH 6-8) 3.02 7.4 -3.75 1 4 0 48 269.385 9 ↓

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) 2.27 5.17 -3.89 2 4 0 62 241.331 7 ↓
Mid Mid (pH 6-8) 2.27 5.54 -37.05 3 4 1 63 242.339 7 ↓

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) 2.27 5.19 -3.46 2 4 0 62 241.331 7 ↓
Mid Mid (pH 6-8) 2.27 5.5 -37.61 3 4 1 63 242.339 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) 2.27 4.97 -3.75 1 4 0 48 241.331 7 ↓
Mid Mid (pH 6-8) 2.27 6.28 -33.99 2 4 1 52 242.339 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) 2.27 5.56 -4.16 1 4 0 48 241.331 7 ↓
Mid Mid (pH 6-8) 2.27 6.65 -33.92 2 4 1 52 242.339 7 ↓

Parameters Provided:

ring.id = 247902
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 = 247902 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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