UCSF
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Analogs

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Popular Name: (4S)-1-methyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d] (4S)-1-methyl-6-[(1S)-2-oxo-1-ph…

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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) 3.10 11.24 -24.98 1 7 0 73 430.508 4 ↓

Analogs

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Popular Name: (4R)-1-methyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d] (4R)-1-methyl-6-[(1S)-2-oxo-1-ph…

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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) 3.10 11.25 -24.88 1 7 0 73 430.508 4 ↓

Analogs

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Popular Name: (4S)-1-methyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d] (4S)-1-methyl-6-[(1R)-2-oxo-1-ph…

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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) 3.10 11.22 -24.97 1 7 0 73 430.508 4 ↓

Analogs

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Popular Name: (4R)-1-methyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d] (4R)-1-methyl-6-[(1R)-2-oxo-1-ph…

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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) 3.10 11.23 -25.04 1 7 0 73 430.508 4 ↓

Analogs

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Popular Name: (4S)-1-ethyl-4-(m-tolyl)-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-ethyl-4-(m-tolyl)-6-[(1S)…

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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) 3.90 12.81 -25.26 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4R)-1-ethyl-4-(m-tolyl)-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-ethyl-4-(m-tolyl)-6-[(1S)…

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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) 3.90 12.82 -25.06 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4S)-1-ethyl-4-(m-tolyl)-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-ethyl-4-(m-tolyl)-6-[(1R)…

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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) 3.90 12.79 -25.22 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4R)-1-ethyl-4-(m-tolyl)-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-ethyl-4-(m-tolyl)-6-[(1R)…

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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) 3.90 12.8 -25.25 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4S)-1-ethyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-ethyl-6-[(1S)-2-oxo-1-phe…

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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) 3.93 12.81 -25.21 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-ethyl-6-[(1S)-2-oxo-1-phe…

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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) 3.93 12.82 -25.05 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4S)-1-ethyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-ethyl-6-[(1R)-2-oxo-1-phe…

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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) 3.93 12.79 -25.16 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4R)-1-ethyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-ethyl-6-[(1R)-2-oxo-1-phe…

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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) 3.93 12.8 -25.34 1 7 0 73 458.562 5 ↓

Analogs

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Popular Name: (4R)-1-allyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-allyl-6-[(1S)-2-oxo-1-phe…

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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) 4.20 13.42 -24.14 1 7 0 73 470.573 6 ↓

Analogs

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Popular Name: (4S)-1-allyl-6-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-allyl-6-[(1S)-2-oxo-1-phe…

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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) 4.20 13.42 -24.29 1 7 0 73 470.573 6 ↓

Analogs

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Popular Name: (4R)-1-allyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4R)-1-allyl-6-[(1R)-2-oxo-1-phe…

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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) 4.20 13.39 -24.31 1 7 0 73 470.573 6 ↓

Analogs

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Popular Name: (4S)-1-allyl-6-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4- (4S)-1-allyl-6-[(1R)-2-oxo-1-phe…

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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) 4.20 13.39 -23.99 1 7 0 73 470.573 6 ↓

Parameters Provided:

ring.id = 20239
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 = 20239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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