UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 2.70 9.17 -10.37 0 2 0 22 217.312 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 2.70 9.22 -10.3 0 2 0 22 217.312 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.81 10.33 -10.18 0 2 0 22 259.393 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.81 10.38 -10.15 0 2 0 22 259.393 3 ↓

Analogs

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Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 3.58 10.1 -9.82 0 2 0 22 245.366 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 3.58 10.14 -9.8 0 2 0 22 245.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-2-cyclopropyl-1-methyl-e…

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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) 2.92 9.41 -10.64 0 2 0 22 231.339 3 ↓

Analogs

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Popular Name: 1-[(1R)-2-cyclopropyl-1-methyl-ethyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-2-cyclopropyl-1-methyl-e…

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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) 2.92 9.45 -10.64 0 2 0 22 231.339 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(cyclopropylmethyl)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) 3.20 10.32 -10.76 0 2 0 22 231.339 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(cyclopropylmethyl)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) 3.20 10.12 -10.14 0 2 0 22 231.339 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(cyclopropylmethyl)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) 4.31 11.15 -10.32 0 2 0 22 273.42 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(cyclopropylmethyl)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) 4.31 11.24 -9.96 0 2 0 22 273.42 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1S)-1-(cyclopropylmethyl)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) 4.09 11.24 -10.17 0 2 0 22 259.393 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-6,6-dimethyl-5,7-dihydroindol-4-one 1-[(1R)-1-(cyclopropylmethyl)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) 4.09 11.05 -9.64 0 2 0 22 259.393 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-(cyclopropylmethyl)propyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1S)-1-(cyclopropylmethyl)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) 3.42 10.21 -10.89 0 2 0 22 245.366 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1R)-1-(cyclopropylmethyl)propyl]-2-methyl-6,7-dihydro-5H-indol-4-one 1-[(1R)-1-(cyclopropylmethyl)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) 3.42 10.32 -10.44 0 2 0 22 245.366 4 ↓

Parameters Provided:

ring.id = 389309
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 = 389309 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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