UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 2.48 6.67 -33.71 2 2 1 26 198.33 7 ↓

Analogs

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

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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) 2.48 6.53 -33.3 2 2 1 26 198.33 7 ↓

Analogs

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Popular Name: (1R)-2-(cyclobutoxy)-1-cyclopropyl-ethanamine (1R)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.69 3.25 -36.29 3 2 1 37 156.249 4 ↓

Analogs

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Popular Name: (1S)-2-(cyclobutoxy)-1-cyclopropyl-ethanamine (1S)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.69 3.45 -36.69 3 2 1 37 156.249 4 ↓

Analogs

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Popular Name: (1R)-2-(cyclobutoxy)-1-cyclopropyl-N-ethyl-ethanamine (1R)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 5.92 -32.99 2 2 1 26 184.303 6 ↓

Analogs

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Popular Name: (1S)-2-(cyclobutoxy)-1-cyclopropyl-N-ethyl-ethanamine (1S)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.98 5.78 -32.56 2 2 1 26 184.303 6 ↓

Analogs

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Popular Name: (1R)-2-(cyclobutoxy)-1-cyclopropyl-N-methyl-ethanamine (1R)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 5.1 -33.51 2 2 1 26 170.276 5 ↓

Analogs

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Popular Name: (1S)-2-(cyclobutoxy)-1-cyclopropyl-N-methyl-ethanamine (1S)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 5.38 -33.83 2 2 1 26 170.276 5 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 3.37 -5.73 1 3 0 45 194.278 5 ↓
Lo Low (pH 4.5-6) 1.46 4.81 -41.97 2 3 1 50 195.286 5 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(methylamino)propanenitrile (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 3.37 -7.58 1 3 0 45 194.278 5 ↓
Lo Low (pH 4.5-6) 1.46 4.86 -41.82 2 3 1 50 195.286 5 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 5.12 -5.17 1 3 0 45 208.305 6 ↓
Lo Low (pH 4.5-6) 1.83 5.83 -44.84 2 3 1 50 209.313 6 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 4.97 -7.02 1 3 0 45 208.305 6 ↓
Lo Low (pH 4.5-6) 1.83 5.83 -45.19 2 3 1 50 209.313 6 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(cyclobutoxy)-2-cyclopropyl-propanenitrile (2S)-2-amino-3-(cyclobutoxy)-2-c…

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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) 1.08 2.84 -7.55 2 3 0 59 180.251 4 ↓
Lo Low (pH 4.5-6) 1.08 3.24 -45.93 3 3 1 61 181.259 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(cyclobutoxy)-2-cyclopropyl-propanenitrile (2R)-2-amino-3-(cyclobutoxy)-2-c…

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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) 1.08 2.89 -7.32 2 3 0 59 180.251 4 ↓
Lo Low (pH 4.5-6) 1.08 3.21 -47.12 3 3 1 61 181.259 4 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanenitrile (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 5.03 -5.45 1 3 0 45 222.332 7 ↓
Lo Low (pH 4.5-6) 2.33 6.67 -44.66 2 3 1 50 223.34 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanenitrile (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 5.03 -7.51 1 3 0 45 222.332 7 ↓
Lo Low (pH 4.5-6) 2.33 6.73 -45.04 2 3 1 50 223.34 7 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 5.68 -4.87 1 3 0 45 222.332 6 ↓
Lo Low (pH 4.5-6) 2.13 6.04 -43.95 2 3 1 50 223.34 6 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.13 5.5 -7.25 1 3 0 45 222.332 6 ↓
Lo Low (pH 4.5-6) 2.13 6.12 -44.39 2 3 1 50 223.34 6 ↓

Analogs

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Popular Name: (1R)-2-(cyclobutoxy)-1-cyclopropyl-ethanol (1R)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 2.8 -3.74 1 2 0 29 156.225 4 ↓

Analogs

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Popular Name: (1S)-2-(cyclobutoxy)-1-cyclopropyl-ethanol (1S)-2-(cyclobutoxy)-1-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.18 3.05 -3.6 1 2 0 29 156.225 4 ↓

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) 2.41 6.23 -6.55 1 4 0 48 255.358 9 ↓
Mid Mid (pH 6-8) 2.41 7.24 -40.35 2 4 1 52 256.366 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) 2.41 6.52 -5.53 1 4 0 48 255.358 9 ↓
Mid Mid (pH 6-8) 2.41 7.13 -40.16 2 4 1 52 256.366 9 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanamide (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 3.61 -45.16 4 4 1 69 241.355 8 ↓
Hi High (pH 8-9.5) 1.28 2.45 -7.51 3 4 0 64 240.347 8 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanamide (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 3.56 -45.1 4 4 1 69 241.355 8 ↓
Hi High (pH 8-9.5) 1.28 2.45 -6.58 3 4 0 64 240.347 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanamide (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 3.3 -44.27 4 4 1 69 241.355 7 ↓
Hi High (pH 8-9.5) 1.07 1.61 -7.54 3 4 0 64 240.347 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanamide (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.07 3.57 -32.92 4 4 1 69 241.355 7 ↓
Hi High (pH 8-9.5) 1.07 1.9 -7.48 3 4 0 64 240.347 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) 1.91 5.6 -3.67 1 4 0 48 241.331 8 ↓
Mid Mid (pH 6-8) 1.91 6.32 -32.12 2 4 1 52 242.339 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) 1.91 5.77 -4.05 1 4 0 48 241.331 8 ↓
Mid Mid (pH 6-8) 1.91 6.33 -31.7 2 4 1 52 242.339 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanoic (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 6.92 -35.53 2 4 0 66 241.331 7 ↓
Hi High (pH 8-9.5) -0.39 5.99 -51.21 1 4 -1 61 240.323 7 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(isopropylamino)propanoic (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.39 6.91 -34.73 2 4 0 66 241.331 7 ↓
Hi High (pH 8-9.5) -0.39 6.77 -48.16 1 4 -1 61 240.323 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) 1.91 5.7 -3.6 1 4 0 48 241.331 8 ↓
Mid Mid (pH 6-8) 1.91 6.89 -32.96 2 4 1 52 242.339 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) 1.91 5.74 -3.99 1 4 0 48 241.331 8 ↓
Mid Mid (pH 6-8) 1.91 6.86 -33.5 2 4 1 52 242.339 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) 2.58 7.69 -30.47 2 4 1 52 270.393 9 ↓
Mid Mid (pH 6-8) 2.58 7.19 -3.23 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) 2.58 7.65 -30.74 2 4 1 52 270.393 9 ↓
Mid Mid (pH 6-8) 2.58 7.39 -3.57 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) 2.79 8.17 -39.92 2 4 1 52 270.393 10 ↓
Mid Mid (pH 6-8) 2.79 7.29 -3.41 1 4 0 48 269.385 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) 2.79 8.06 -39.7 2 4 1 52 270.393 10 ↓
Mid Mid (pH 6-8) 2.79 7.47 -3.74 1 4 0 48 269.385 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) 2.21 6.31 -3.45 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.21 7.12 -33.98 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) 2.21 6.38 -3.7 1 4 0 48 255.358 8 ↓
Mid Mid (pH 6-8) 2.21 6.79 -39.1 2 4 1 52 256.366 8 ↓

Analogs

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Popular Name: (2R)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanoic (2R)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 7.69 -35.34 2 4 0 66 241.331 8 ↓
Hi High (pH 8-9.5) -0.18 6.75 -51.57 1 4 -1 61 240.323 8 ↓

Analogs

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Popular Name: (2S)-3-(cyclobutoxy)-2-cyclopropyl-2-(propylamino)propanoic (2S)-3-(cyclobutoxy)-2-cycloprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 7.69 -34.62 2 4 0 66 241.331 8 ↓
Hi High (pH 8-9.5) -0.18 6.99 -47.99 1 4 -1 61 240.323 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) 2.28 7.25 -31.66 2 4 1 52 256.366 9 ↓
Mid Mid (pH 6-8) 2.28 6.53 -3.52 1 4 0 48 255.358 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) 2.28 7.26 -31.2 2 4 1 52 256.366 9 ↓
Mid Mid (pH 6-8) 2.28 6.7 -3.79 1 4 0 48 255.358 9 ↓

Parameters Provided:

ring.id = 250987
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 = 250987 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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