UCSF
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Analogs

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Popular Name: (3R,4R)-4-(3-furyl)pyrrolidine-3-carboxylic (3R,4R)-4-(3-furyl)pyrrolidine-3…

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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) 0.12 3.53 -54.31 2 4 0 70 181.191 2 ↓
Hi High (pH 8-9.5) 0.12 2.07 -44.13 1 4 -1 65 180.183 2 ↓

Analogs

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Popular Name: (3R,4S)-4-(3-furyl)pyrrolidine-3-carboxylic (3R,4S)-4-(3-furyl)pyrrolidine-3…

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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) 0.12 3.71 -54.61 2 4 0 70 181.191 2 ↓
Hi High (pH 8-9.5) 0.12 2.25 -46.11 1 4 -1 65 180.183 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(3-furyl)pyrrolidine-3-carboxylic (3S,4R)-4-(3-furyl)pyrrolidine-3…

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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) 0.12 3.7 -51.19 2 4 0 70 181.191 2 ↓
Hi High (pH 8-9.5) 0.12 2.25 -50.76 1 4 -1 65 180.183 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-(3-furyl)pyrrolidine-3-carboxylic (3S,4S)-4-(3-furyl)pyrrolidine-3…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.12 3.45 -53.98 2 4 0 70 181.191 2 ↓
Hi High (pH 8-9.5) 0.12 1.99 -45.25 1 4 -1 65 180.183 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-4-(2,5-dimethyl-3-furyl)-4-methyl-pyrrolidine-3-carboxylic (3R,4R)-4-(2,5-dimethyl-3-furyl)…

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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) 1.19 5.15 -56.88 2 4 0 70 223.272 2 ↓
Hi High (pH 8-9.5) 1.19 3.69 -46 1 4 -1 65 222.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4S)-4-(2,5-dimethyl-3-furyl)-4-methyl-pyrrolidine-3-carboxylic (3R,4S)-4-(2,5-dimethyl-3-furyl)…

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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) 1.19 5.28 -52.77 2 4 0 70 223.272 2 ↓
Hi High (pH 8-9.5) 1.19 3.83 -48.66 1 4 -1 65 222.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4R)-4-(2,5-dimethyl-3-furyl)-4-methyl-pyrrolidine-3-carboxylic (3S,4R)-4-(2,5-dimethyl-3-furyl)…

Find On: PubMed — Wikipedia — Google

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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) 1.19 5.25 -46.53 2 4 0 70 223.272 2 ↓
Hi High (pH 8-9.5) 1.19 3.79 -46.58 1 4 -1 65 222.264 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,4S)-4-(2,5-dimethyl-3-furyl)-4-methyl-pyrrolidine-3-carboxylic (3S,4S)-4-(2,5-dimethyl-3-furyl)…

Find On: PubMed — Wikipedia — Google

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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) 1.19 5.09 -57.33 2 4 0 70 223.272 2 ↓
Hi High (pH 8-9.5) 1.19 3.63 -47.25 1 4 -1 65 222.264 2 ↓

Analogs

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Popular Name: (2R,3S)-3-(2,5-dimethyl-3-furyl)-2-isobutyl-3-methyl-pyrrolidine (2R,3S)-3-(2,5-dimethyl-3-furyl)…

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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) 3.48 7.5 -40.43 2 2 1 30 236.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-3-(2,5-dimethyl-3-furyl)-2-isobutyl-3-methyl-pyrrolidine (2R,3R)-3-(2,5-dimethyl-3-furyl)…

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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) 3.48 7.58 -39.43 2 2 1 30 236.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S)-3-(2,5-dimethyl-3-furyl)-2-isobutyl-3-methyl-pyrrolidine (2S,3S)-3-(2,5-dimethyl-3-furyl)…

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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) 3.48 7.76 -36.59 2 2 1 30 236.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R)-3-(2,5-dimethyl-3-furyl)-2-isobutyl-3-methyl-pyrrolidine (2S,3R)-3-(2,5-dimethyl-3-furyl)…

Find On: PubMed — Wikipedia — Google

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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) 3.48 8.01 -39.64 2 2 1 30 236.379 3 ↓

Parameters Provided:

ring.id = 260708
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 = 260708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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