UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[2-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]acetyl]-methyl-amino]acetic 2-[[2-[(3R)-3-benzyl-1-methyl-2-…

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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) 0.97 11.04 -62.89 0 6 -1 81 365.409 6 ↓

Analogs

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Popular Name: 2-[[2-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]acetyl]-methyl-amino]acetic 2-[[2-[(3S)-3-benzyl-1-methyl-2-…

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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) 0.97 11.12 -52.68 0 6 -1 81 365.409 6 ↓

Analogs

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Popular Name: 3-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-(3-hydroxypropyl)propanamide 3-[(3R)-3-benzyl-1-methyl-2-oxo-…

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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) 2.31 6.46 -12.09 2 5 0 70 366.461 8 ↓

Analogs

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Popular Name: 3-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-(3-hydroxypropyl)propanamide 3-[(3S)-3-benzyl-1-methyl-2-oxo-…

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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) 2.31 6.48 -12.08 2 5 0 70 366.461 8 ↓

Analogs

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Popular Name: 2-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-[3-(methylamino)propyl]acetamide 2-[(3R)-3-benzyl-1-methyl-2-oxo-…

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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) 2.45 8.59 -52.04 3 5 1 66 366.485 8 ↓

Analogs

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Popular Name: 2-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-[3-(methylamino)propyl]acetamide 2-[(3S)-3-benzyl-1-methyl-2-oxo-…

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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) 2.45 8.62 -53.01 3 5 1 66 366.485 8 ↓

Analogs

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Popular Name: 2-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-ethyl-N-(2-methoxyethyl)acetamide 2-[(3R)-3-benzyl-1-methyl-2-oxo-…

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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) 3.00 11.13 -15.16 0 5 0 50 380.488 8 ↓

Analogs

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Popular Name: 2-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-ethyl-N-(2-methoxyethyl)acetamide 2-[(3S)-3-benzyl-1-methyl-2-oxo-…

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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) 3.00 10.83 -15.76 0 5 0 50 380.488 8 ↓

Analogs

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Popular Name: 3-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)propanamide 3-[(3S)-3-benzyl-1-methyl-2-oxo-…

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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) 3.19 8.03 -11.33 2 5 0 70 394.515 8 ↓

Analogs

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Popular Name: 3-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-(3-hydroxy-2,2-dimethyl-propyl)propanamide 3-[(3R)-3-benzyl-1-methyl-2-oxo-…

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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) 3.19 8.03 -11.36 2 5 0 70 394.515 8 ↓

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) 2.26 8.73 -13.3 1 6 0 76 366.417 7 ↓

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) 2.26 8.77 -13.91 1 6 0 76 366.417 7 ↓

Analogs

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Popular Name: 2-[(3R)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-propyl-acetamide 2-[(3R)-3-benzyl-1-methyl-2-oxo-…

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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) 3.27 9.34 -13.86 1 4 0 49 336.435 6 ↓

Analogs

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Popular Name: 2-[(3S)-3-benzyl-1-methyl-2-oxo-indolin-3-yl]-N-propyl-acetamide 2-[(3S)-3-benzyl-1-methyl-2-oxo-…

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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) 3.27 9.38 -14.15 1 4 0 49 336.435 6 ↓

Analogs

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Popular Name: (3S)-5-bromo-3-[(2,5-dimethylphenyl)methyl]indolin-2-one (3S)-5-bromo-3-[(2,5-dimethylphe…

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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 9.05 -6.78 1 2 0 29 330.225 2 ↓

Parameters Provided:

ring.id = 25707
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 = 25707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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