UCSF
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Analogs

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Popular Name: 1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]piperidine-4-carboxamide 1-[(2R)-5-ethoxy-2-methyl-3,8-di…

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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) 2.07 4.32 -17.65 3 7 0 98 371.437 4 ↓

Analogs

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Popular Name: 1-[(2S)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]piperidine-4-carboxamide 1-[(2S)-5-ethoxy-2-methyl-3,8-di…

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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) 2.07 4.32 -17.84 3 7 0 98 371.437 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-2-piperidyl]acetamide 2-[(2R)-1-[(2R)-5-ethoxy-2-methy…

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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) 3.68 5.93 -14.18 3 7 0 98 385.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-2-piperidyl]acetamide 2-[(2S)-1-[(2R)-5-ethoxy-2-methy…

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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) 3.68 5.93 -13.92 3 7 0 98 385.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2S)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-2-piperidyl]acetamide 2-[(2R)-1-[(2S)-5-ethoxy-2-methy…

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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) 3.68 5.93 -14.25 3 7 0 98 385.464 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2S)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-2-piperidyl]acetamide 2-[(2S)-1-[(2S)-5-ethoxy-2-methy…

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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) 3.68 5.93 -14.14 3 7 0 98 385.464 5 ↓

Analogs

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Popular Name: (3R,6S)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-6-methyl-piperidine-3 (3R,6S)-1-[(2R)-5-ethoxy-2-methy…

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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) 2.40 5.13 -16.21 3 7 0 98 385.464 4 ↓

Analogs

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Popular Name: (3S,6S)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-6-methyl-piperidine-3 (3S,6S)-1-[(2R)-5-ethoxy-2-methy…

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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) 2.40 4.87 -12.4 3 7 0 98 385.464 4 ↓

Analogs

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Popular Name: (3R,6R)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-6-methyl-piperidine-3 (3R,6R)-1-[(2R)-5-ethoxy-2-methy…

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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) 2.40 4.91 -12.12 3 7 0 98 385.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R)-1-[(2R)-5-ethoxy-2-methyl-3,8-dihydro-2H-furo[3,2-g]indole-7-carbonyl]-6-methyl-piperidine-3 (3S,6R)-1-[(2R)-5-ethoxy-2-methy…

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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) 2.40 4.84 -12.94 3 7 0 98 385.464 4 ↓

Parameters Provided:

ring.id = 397659
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 = 397659 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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