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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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) 2.86 5.44 -47.33 3 4 1 49 308.833 4 ↓
Mid Mid (pH 6-8) 2.86 6.99 -40.4 3 4 1 46 308.833 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(5-chloro-2-methyl-phenyl)-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) 2.86 5.02 -48.12 3 4 1 49 308.833 4 ↓
Mid Mid (pH 6-8) 2.86 6.36 -39.73 3 4 1 46 308.833 4 ↓

Analogs

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Popular Name: N-(2,6-difluorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2,6-difluorophenyl)-2-[[(1R,8…

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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) 2.04 4.2 -42.75 3 4 1 49 296.341 4 ↓
Mid Mid (pH 6-8) 2.04 5.81 -39.75 3 4 1 46 296.341 4 ↓

Analogs

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Popular Name: N-(2,6-difluorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2,6-difluorophenyl)-2-[[(1S,8…

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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) 2.04 3.84 -43.58 3 4 1 49 296.341 4 ↓
Mid Mid (pH 6-8) 2.04 5.18 -38.94 3 4 1 46 296.341 4 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2,6-dichlorophenyl)-2-[[(1R,8…

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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 5.21 -41.66 3 4 1 49 329.251 4 ↓
Hi High (pH 8-9.5) 3.07 4.48 -7.71 2 4 0 44 328.243 4 ↓
Mid Mid (pH 6-8) 3.07 6.96 -37.98 3 4 1 46 329.251 4 ↓

Analogs

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Popular Name: N-(2,6-dichlorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2,6-dichlorophenyl)-2-[[(1S,8…

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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 4.99 -42.52 3 4 1 49 329.251 4 ↓
Hi High (pH 8-9.5) 3.07 3.82 -8.62 2 4 0 44 328.243 4 ↓
Mid Mid (pH 6-8) 3.07 6.34 -37.23 3 4 1 46 329.251 4 ↓

Analogs

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Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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 4.02 -44.87 3 4 1 49 260.361 4 ↓
Mid Mid (pH 6-8) 1.81 5.57 -39.04 3 4 1 46 260.361 4 ↓

Analogs

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Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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 3.6 -45.62 3 4 1 49 260.361 4 ↓
Mid Mid (pH 6-8) 1.81 4.94 -38.27 3 4 1 46 260.361 4 ↓

Analogs

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Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.86 3.31 -47.15 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.86 4.86 -40.46 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(4-methoxyphenyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.86 2.89 -47.79 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.86 4.23 -39.77 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-fluorophenyl)-2-[[(1R,8R)-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) 1.97 4.08 -48.42 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.97 5.64 -40.4 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-fluorophenyl)-2-[[(1S,8R)-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) 1.97 3.66 -49.15 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.97 5.01 -39.75 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.84 3.31 -46.2 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.84 4.87 -39.82 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(3-methoxyphenyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 1.84 2.9 -46.87 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.84 4.24 -39.14 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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 3.44 -43.29 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.82 5 -38.32 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(2-methoxyphenyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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 3.04 -43.93 3 5 1 58 290.387 5 ↓
Mid Mid (pH 6-8) 1.82 4.37 -37.62 3 5 1 55 290.387 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-fluorophenyl)-2-[[(1R,8R)-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) 1.92 4.12 -43.94 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.92 5.69 -37.77 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-fluorophenyl)-2-[[(1S,8R)-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) 1.92 3.73 -44.49 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.92 5.06 -37.09 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-fluorophenyl)-2-[[(1R,8R)-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) 1.95 4.08 -47.2 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.95 5.64 -39.37 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-fluorophenyl)-2-[[(1S,8R)-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) 1.95 3.66 -47.86 3 4 1 49 278.351 4 ↓
Mid Mid (pH 6-8) 1.95 5.01 -38.75 3 4 1 46 278.351 4 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-bromophenyl)-2-[[(1R,8R)-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) 2.62 4.64 -47.62 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.62 6.19 -39.71 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-bromophenyl)-2-[[(1S,8R)-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) 2.62 4.22 -48.37 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.62 5.57 -39.03 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-chlorophenyl)-2-[[(1R,8R)-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) 2.49 4.54 -47.51 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.49 6.09 -39.68 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(4-chlorophenyl)-2-[[(1S,8R)-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) 2.49 4.12 -48.25 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.49 5.46 -38.98 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-chlorophenyl)-2-[[(1R,8R)-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) 2.46 4.54 -46.36 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.46 6.09 -38.8 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-chlorophenyl)-2-[[(1S,8R)-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) 2.46 4.12 -47.1 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.46 5.46 -38.22 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-chlorophenyl)-2-[[(1R,8R)-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) 2.44 4.64 -43.37 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.44 6.19 -37.23 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-chlorophenyl)-2-[[(1S,8R)-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) 2.44 4.22 -43.87 3 4 1 49 294.806 4 ↓
Mid Mid (pH 6-8) 2.44 5.56 -36.58 3 4 1 46 294.806 4 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-bromophenyl)-2-[[(1R,8R)-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) 2.59 4.64 -46.36 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.59 6.19 -38.78 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(3-bromophenyl)-2-[[(1S,8R)-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) 2.59 4.22 -46.99 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.59 5.57 -38.1 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-bromophenyl)-2-[[(1R,8R)-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) 2.57 4.76 -43.36 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.57 6.32 -37.22 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]acetamide N-(2-bromophenyl)-2-[[(1S,8R)-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) 2.57 4.35 -43.91 3 4 1 49 339.257 4 ↓
Mid Mid (pH 6-8) 2.57 5.69 -36.5 3 4 1 46 339.257 4 ↓

Analogs

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Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(p-tolyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 2.26 4.69 -44.83 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.26 6.25 -39.01 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(p-tolyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 2.26 4.27 -45.6 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.26 5.62 -38.25 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(m-tolyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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) 2.23 4.69 -44.88 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.23 6.25 -38.98 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(m-tolyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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) 2.23 4.27 -45.65 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.23 5.62 -38.35 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(o-tolyl)acetamide 2-[[(1R,8R)-2,3,5,6,7,8-hexahydr…

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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 4.92 -45.23 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.21 6.47 -39.18 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-(o-tolyl)acetamide 2-[[(1S,8R)-2,3,5,6,7,8-hexahydr…

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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 4.5 -46.08 3 4 1 49 274.388 4 ↓
Mid Mid (pH 6-8) 2.21 5.84 -38.44 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-propanamide (2S)-2-[[(1R,8R)-2,3,5,6,7,8-hex…

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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 4.46 -41.37 3 4 1 49 274.388 4 ↓
Hi High (pH 8-9.5) 1.77 3.57 -7.12 2 4 0 44 273.38 4 ↓
Mid Mid (pH 6-8) 1.77 6.06 -37.83 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-propanamide (2R)-2-[[(1R,8R)-2,3,5,6,7,8-hex…

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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 4.52 -40.18 3 4 1 49 274.388 4 ↓
Hi High (pH 8-9.5) 1.77 3.78 -8.15 2 4 0 44 273.38 4 ↓
Mid Mid (pH 6-8) 1.77 6.27 -39.27 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-propanamide (2S)-2-[[(1S,8R)-2,3,5,6,7,8-hex…

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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 4.11 -41.21 3 4 1 49 274.388 4 ↓
Hi High (pH 8-9.5) 1.77 3.07 -8.17 2 4 0 44 273.38 4 ↓
Mid Mid (pH 6-8) 1.77 5.58 -36.84 3 4 1 46 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]-N-phenyl-propanamide (2R)-2-[[(1S,8R)-2,3,5,6,7,8-hex…

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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 4.08 -41.01 3 4 1 49 274.388 4 ↓
Hi High (pH 8-9.5) 1.77 3.01 -9.09 2 4 0 44 273.38 4 ↓
Mid Mid (pH 6-8) 1.77 5.52 -38.8 3 4 1 46 274.388 4 ↓

Parameters Provided:

ring.id = 589027
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 = 589027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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