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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-allyl-1-[(2R,4R,10bS)-4-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-3-(2,4-di 1-allyl-1-[(2R,4R,10bS)-4-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) 4.14 11.34 -17.3 1 5 0 53 411.452 4 ↓

Analogs

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Popular Name: 1-allyl-1-[(2S,4R,10bS)-4-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-3-(2,4-di 1-allyl-1-[(2S,4R,10bS)-4-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) 4.14 10.41 -17.77 1 5 0 53 411.452 4 ↓

Analogs

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Popular Name: N-[(2R,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-2,3-di N-[(2R,4S,10bS)-6-oxo-4-[(E)-pro…

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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) 3.64 11.99 -21.91 0 4 0 41 410.464 3 ↓

Analogs

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Popular Name: N-[(2S,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-2,3-di N-[(2S,4S,10bS)-6-oxo-4-[(E)-pro…

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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) 3.64 11.52 -23.97 0 4 0 41 410.464 3 ↓

Analogs

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Popular Name: methyl 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) 4.43 12.37 -18.86 1 7 0 79 435.524 6 ↓

Analogs

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Popular Name: methyl 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) 4.43 11.45 -17.73 1 7 0 79 435.524 6 ↓

Analogs

23308245
23308245
23308248
23308248

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-3-(2,5 1-[(2R,4S,10bS)-6-oxo-4-[(E)-pro…

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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) 3.84 9.86 -18.41 1 7 0 71 435.524 5 ↓

Analogs

23308245
23308245
23308248
23308248

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-3-(2,5 1-[(2S,4S,10bS)-6-oxo-4-[(E)-pro…

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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) 3.84 9.22 -23.37 1 7 0 71 435.524 5 ↓

Analogs

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Popular Name: methyl 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) 4.19 12.2 -18.64 1 7 0 79 433.508 6 ↓

Analogs

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Popular Name: methyl 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) 4.19 11.16 -17.48 1 7 0 79 433.508 6 ↓

Analogs

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Popular Name: N-allyl-N-[(2R,4S,10bR)-4-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-2-chloro- N-allyl-N-[(2R,4S,10bR)-4-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) 3.23 8.12 -19.29 0 6 0 63 425.916 5 ↓

Analogs

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Popular Name: N-allyl-N-[(2S,4S,10bR)-4-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-2-chloro- N-allyl-N-[(2S,4S,10bR)-4-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) 3.23 8.37 -17.95 0 6 0 63 425.916 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-1-[(2R,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl 1-allyl-1-[(2R,4S,10bS)-6-oxo-4-…

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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) 4.87 13.2 -19.96 1 6 0 62 445.563 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-allyl-1-[(2S,4S,10bS)-6-oxo-4-[(E)-prop-1-enyl]-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl 1-allyl-1-[(2S,4S,10bS)-6-oxo-4-…

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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) 4.87 12.45 -16.27 1 6 0 62 445.563 6 ↓

Parameters Provided:

ring.id = 96527
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 = 96527 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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