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Popular Name: (2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic (2R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -1.16 4.15 -33.14 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) -1.16 1.95 -44.72 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: (2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxylic (2S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) -1.16 4.42 -31.58 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) -1.16 2.16 -39.84 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.57 4.74 -51.08 1 6 0 83 225.248 4 ↓
Hi High (pH 8-9.5) 0.57 2.45 -46.27 0 6 -1 82 224.24 4 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[(4-methyl-1,2,5-oxadi…

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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) 0.57 5.14 -47.46 1 6 0 83 225.248 4 ↓
Hi High (pH 8-9.5) 0.57 3.12 -54.64 0 6 -1 82 224.24 4 ↓

Analogs

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Popular Name: (3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.41 4.69 -52.59 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) 0.41 2.22 -45.76 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.41 4.71 -55.72 1 6 0 83 211.221 3 ↓
Hi High (pH 8-9.5) 0.41 2.24 -45.05 0 6 -1 82 210.213 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[(4-methyl-1,2,5…

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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) 0.65 5.17 -56.25 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) 0.65 2.67 -46.12 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[(4-methyl-1,2,5…

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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) 0.65 5.17 -53.3 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) 0.65 2.7 -46.55 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3S,4R)-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S,4R)-4-methyl-1-[(4-methyl-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) 0.88 5.19 -65.91 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) 0.88 2.64 -53.63 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: (3S,4S)-4-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic (3S,4S)-4-methyl-1-[(4-methyl-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) 0.88 5.03 -62.27 1 6 0 83 225.248 3 ↓
Hi High (pH 8-9.5) 0.88 2.58 -54.6 0 6 -1 82 224.24 3 ↓

Analogs

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Popular Name: [(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) -0.03 -0.58 -56.97 3 5 1 70 197.262 3 ↓
Mid Mid (pH 6-8) -0.03 1.9 -122.99 4 5 2 71 198.27 3 ↓

Analogs

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Popular Name: [(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine [(3S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) -0.03 -0.54 -56.59 3 5 1 70 197.262 3 ↓
Mid Mid (pH 6-8) -0.03 1.81 -121.72 4 5 2 71 198.27 3 ↓

Analogs

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Popular Name: N-methyl-1-[(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3R)-1-[(4-methyl-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) 0.95 1.28 -51.9 2 5 1 59 211.289 4 ↓
Mid Mid (pH 6-8) 0.95 3.77 -118.92 3 5 2 60 212.297 4 ↓

Analogs

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Popular Name: N-methyl-1-[(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3S)-1-[(4-methyl-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) 0.95 1.56 -49.54 2 5 1 59 211.289 4 ↓
Mid Mid (pH 6-8) 0.95 4.03 -116.62 3 5 2 60 212.297 4 ↓

Analogs

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Popular Name: [(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol [(2R)-1-[(4-methyl-1,2,5-oxadiaz…

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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 1.64 -44.75 2 5 1 64 198.246 3 ↓
Hi High (pH 8-9.5) 0.42 -0.5 -10.64 1 5 0 62 197.238 3 ↓

Analogs

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Popular Name: [(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methanol [(2S)-1-[(4-methyl-1,2,5-oxadiaz…

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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 1.32 -44.41 2 5 1 64 198.246 3 ↓
Hi High (pH 8-9.5) 0.42 -0.78 -11.28 1 5 0 62 197.238 3 ↓

Analogs

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Popular Name: [(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol [(3S)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.53 1.2 -50.06 2 5 1 64 198.246 3 ↓
Hi High (pH 8-9.5) 0.53 -1.28 -11.95 1 5 0 62 197.238 3 ↓

Analogs

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Popular Name: [(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol [(3R)-1-[(4-methyl-1,2,5-oxadiaz…

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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) 0.53 1.47 -50.19 2 5 1 64 198.246 3 ↓
Hi High (pH 8-9.5) 0.53 -1 -11.18 1 5 0 62 197.238 3 ↓

Analogs

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Popular Name: 3-[(2R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol 3-[(2R)-1-[(4-methyl-1,2,5-oxadi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 3.11 -43.66 2 5 1 64 226.3 5 ↓
Hi High (pH 8-9.5) 0.96 1.15 -8.36 1 5 0 62 225.292 5 ↓

Analogs

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Popular Name: 3-[(2S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol 3-[(2S)-1-[(4-methyl-1,2,5-oxadi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 2.76 -46.22 2 5 1 64 226.3 5 ↓
Hi High (pH 8-9.5) 0.96 0.87 -11.86 1 5 0 62 225.292 5 ↓

Analogs

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Popular Name: (3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (3S)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.15 0.84 -46.53 2 5 1 64 184.219 2 ↓
Hi High (pH 8-9.5) 0.15 -1.63 -9.61 1 5 0 62 183.211 2 ↓

Analogs

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Popular Name: (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-ol (3R)-1-[(4-methyl-1,2,5-oxadiazo…

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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) 0.15 0.84 -47 2 5 1 64 184.219 2 ↓
Hi High (pH 8-9.5) 0.15 -1.63 -9.69 1 5 0 62 183.211 2 ↓

Parameters Provided:

ring.id = 460451
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 = 460451 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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