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Analogs

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Popular Name: (2R,3R)-1-methyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2R,3R)-1-methyl-2-(1-methylindo…

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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) 0.99 4.15 -37.52 3 3 1 34 232.351 1 ↓

Analogs

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Popular Name: (2S,3R)-1-methyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-methyl-2-(1-methylindo…

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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) 0.99 3.96 -45.94 3 3 1 34 232.351 1 ↓

Analogs

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Popular Name: (2S,3S)-1-ethyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3S)-1-ethyl-2-(1-methylindol…

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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) 1.37 4.99 -37.48 3 3 1 34 246.378 2 ↓
Lo Low (pH 4.5-6) 1.37 6.66 -30.76 3 3 1 34 246.378 2 ↓

Analogs

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Popular Name: (2S,3R)-1-ethyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-ethyl-2-(1-methylindol…

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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) 1.37 4.81 -45.76 3 3 1 34 246.378 2 ↓
Lo Low (pH 4.5-6) 1.37 6.38 -31.56 3 3 1 34 246.378 2 ↓

Analogs

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Popular Name: (2S,3S)-2-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-3-amine (2S,3S)-2-(1-methylindolin-5-yl)…

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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) 1.87 5.74 -37.62 3 3 1 34 260.405 3 ↓
Lo Low (pH 4.5-6) 1.87 7.4 -31.2 3 3 1 34 260.405 3 ↓

Analogs

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Popular Name: (2S,3R)-2-(1-methylindolin-5-yl)-1-propyl-pyrrolidin-3-amine (2S,3R)-2-(1-methylindolin-5-yl)…

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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) 1.87 5.55 -45.89 3 3 1 34 260.405 3 ↓
Lo Low (pH 4.5-6) 1.87 7.12 -31.99 3 3 1 34 260.405 3 ↓

Analogs

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Popular Name: (2S,3S)-1-isopropyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3S)-1-isopropyl-2-(1-methyli…

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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) 1.66 5.35 -37.61 3 3 1 34 260.405 2 ↓
Lo Low (pH 4.5-6) 1.66 6.95 -29.74 3 3 1 34 260.405 2 ↓

Analogs

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Popular Name: (2S,3R)-1-isopropyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-isopropyl-2-(1-methyli…

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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) 1.66 5.32 -45.97 3 3 1 34 260.405 2 ↓
Lo Low (pH 4.5-6) 1.66 6.68 -30.6 3 3 1 34 260.405 2 ↓

Analogs

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Popular Name: (2S,3S)-1-tert-butyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3S)-1-tert-butyl-2-(1-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) 2.18 7.13 -28.95 3 3 1 34 274.432 2 ↓

Analogs

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Popular Name: (2S,3R)-1-tert-butyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-tert-butyl-2-(1-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) 2.18 6.91 -29.14 3 3 1 34 274.432 2 ↓

Analogs

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Popular Name: (2S,3S)-1-isobutyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3S)-1-isobutyl-2-(1-methylin…

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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) 2.11 6.69 -37.83 3 3 1 34 274.432 3 ↓
Lo Low (pH 4.5-6) 2.11 8.08 -30.96 3 3 1 34 274.432 3 ↓

Analogs

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Popular Name: (2S,3R)-1-isobutyl-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-isobutyl-2-(1-methylin…

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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) 2.11 6.51 -45.99 3 3 1 34 274.432 3 ↓
Lo Low (pH 4.5-6) 2.11 7.81 -31.56 3 3 1 34 274.432 3 ↓

Analogs

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Popular Name: (2R,3R)-1-(2-methoxyethyl)-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2R,3R)-1-(2-methoxyethyl)-2-(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) 0.98 4.34 -37.94 3 4 1 43 276.404 4 ↓

Analogs

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Popular Name: (2S,3R)-1-(2-methoxyethyl)-2-(1-methylindolin-5-yl)pyrrolidin-3-amine (2S,3R)-1-(2-methoxyethyl)-2-(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) 0.98 3.89 -47.22 3 4 1 43 276.404 4 ↓

Parameters Provided:

ring.id = 532160
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 = 532160 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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