UCSF
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Analogs

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Popular Name: (3S)-5-methyl-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1R)-2-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) 3.70 7.03 -33.04 3 3 1 46 301.435 4 ↓
Mid Mid (pH 6-8) 3.70 6.62 -5.93 2 3 0 41 300.427 4 ↓

Analogs

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Popular Name: (3S)-5-methyl-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1S)-2-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) 3.70 7.63 -34.96 3 3 1 46 301.435 4 ↓
Mid Mid (pH 6-8) 3.70 6.3 -8.03 2 3 0 41 300.427 4 ↓

Analogs

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Popular Name: (3R)-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-3-[[(1S)-2-methyl-1-(2-thie…

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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) 3.28 6.77 -31.35 3 3 1 46 287.408 4 ↓
Mid Mid (pH 6-8) 3.28 5.62 -7 2 3 0 41 286.4 4 ↓

Analogs

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Popular Name: (3R)-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-3-[[(1R)-2-methyl-1-(2-thie…

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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) 3.28 6.57 -32.58 3 3 1 46 287.408 4 ↓
Mid Mid (pH 6-8) 3.28 5.5 -7.66 2 3 0 41 286.4 4 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-6-bromo-3-[[(1S)-2-methyl-1…

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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) 4.06 7.51 -33.57 3 3 1 46 366.304 4 ↓
Mid Mid (pH 6-8) 4.06 6.24 -6.58 2 3 0 41 365.296 4 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-6-bromo-3-[[(1R)-2-methyl-1…

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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) 4.06 7.19 -36.7 3 3 1 46 366.304 4 ↓
Mid Mid (pH 6-8) 4.06 6.12 -7.16 2 3 0 41 365.296 4 ↓

Analogs

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Popular Name: (3R)-5-fluoro-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-fluoro-3-[[(1S)-2-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) 3.41 6.96 -32.08 3 3 1 46 305.398 4 ↓
Mid Mid (pH 6-8) 3.41 5.68 -6.81 2 3 0 41 304.39 4 ↓

Analogs

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Popular Name: (3R)-5-fluoro-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-fluoro-3-[[(1R)-2-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) 3.41 6.64 -34.66 3 3 1 46 305.398 4 ↓
Mid Mid (pH 6-8) 3.41 5.56 -7.18 2 3 0 41 304.39 4 ↓

Analogs

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Popular Name: (3R)-5-chloro-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-chloro-3-[[(1S)-2-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) 3.93 7.42 -31.48 3 3 1 46 321.853 4 ↓
Mid Mid (pH 6-8) 3.93 6.14 -6.35 2 3 0 41 320.845 4 ↓

Analogs

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Popular Name: (3R)-5-chloro-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-chloro-3-[[(1R)-2-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) 3.93 7.1 -34.06 3 3 1 46 321.853 4 ↓
Mid Mid (pH 6-8) 3.93 6.02 -6.81 2 3 0 41 320.845 4 ↓

Analogs

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Popular Name: (3R)-4-bromo-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-4-bromo-3-[[(1S)-2-methyl-1…

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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) 4.04 6.64 -6.41 2 3 0 41 365.296 4 ↓
Mid Mid (pH 6-8) 4.04 7.44 -26.6 3 3 1 46 366.304 4 ↓

Analogs

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Popular Name: (3R)-4-bromo-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-4-bromo-3-[[(1R)-2-methyl-1…

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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) 4.04 5.97 -7.38 2 3 0 41 365.296 4 ↓
Mid Mid (pH 6-8) 4.04 7.15 -26.49 3 3 1 46 366.304 4 ↓

Analogs

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Popular Name: (3R)-5-bromo-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-bromo-3-[[(1S)-2-methyl-1…

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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) 4.06 7.52 -31.47 3 3 1 46 366.304 4 ↓
Mid Mid (pH 6-8) 4.06 6.25 -6.27 2 3 0 41 365.296 4 ↓

Analogs

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Popular Name: (3R)-5-bromo-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-5-bromo-3-[[(1R)-2-methyl-1…

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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) 4.06 7.21 -34.01 3 3 1 46 366.304 4 ↓
Mid Mid (pH 6-8) 4.06 6.12 -6.64 2 3 0 41 365.296 4 ↓

Analogs

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Popular Name: (3R)-6-fluoro-3-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-6-fluoro-3-[[(1S)-2-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) 3.41 6.97 -34.06 3 3 1 46 305.398 4 ↓
Mid Mid (pH 6-8) 3.41 6.05 -5.4 2 3 0 41 304.39 4 ↓

Analogs

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Popular Name: (3R)-6-fluoro-3-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]indolin-2-one (3R)-6-fluoro-3-[[(1R)-2-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) 3.41 6.65 -37.19 3 3 1 46 305.398 4 ↓
Mid Mid (pH 6-8) 3.41 5.69 -8.47 2 3 0 41 304.39 4 ↓

Analogs

20148530
20148530

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Popular Name: (3S)-3-[[(3S)-2-oxoindolin-3-yl]amino]-3-(2-thienyl)propanoic (3S)-3-[[(3S)-2-oxoindolin-3-yl]…

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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) 1.67 6.17 -27.38 3 5 0 86 302.355 5 ↓
Mid Mid (pH 6-8) 1.67 4.83 -53.09 2 5 -1 81 301.347 5 ↓

Analogs

20148530
20148530

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Popular Name: (3R)-3-[[(3S)-2-oxoindolin-3-yl]amino]-3-(2-thienyl)propanoic (3R)-3-[[(3S)-2-oxoindolin-3-yl]…

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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) 1.67 6.27 -34.42 3 5 0 86 302.355 5 ↓
Mid Mid (pH 6-8) 1.67 5.61 -57.03 2 5 -1 81 301.347 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 133957 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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