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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: (3S)-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-1-(2-pyridyl)ethyl…

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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) 1.46 4.89 -30.79 3 4 1 59 254.313 3 ↓
Mid Mid (pH 6-8) 1.46 3.54 -8.26 2 4 0 54 253.305 3 ↓
Lo Low (pH 4.5-6) 1.46 4.06 -31.81 3 4 1 55 254.313 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-1-(2-pyridyl)ethyl…

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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) 1.46 4.79 -33.97 3 4 1 59 254.313 3 ↓
Mid Mid (pH 6-8) 1.46 3.57 -8.51 2 4 0 54 253.305 3 ↓
Lo Low (pH 4.5-6) 1.46 3.97 -38.04 3 4 1 55 254.313 3 ↓

Analogs

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Popular Name: (3S)-5-bromo-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-bromo-3-[[(1R)-1-(2-pyrid…

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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) 2.24 4.29 -8.31 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.24 5.51 -32.67 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.24 4.64 -34.65 3 4 1 55 333.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-bromo-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-bromo-3-[[(1S)-1-(2-pyrid…

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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) 2.24 4.25 -8.91 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.24 5.41 -35.5 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.24 4.66 -31.39 3 4 1 55 333.209 3 ↓

Analogs

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Popular Name: (3S)-5-methyl-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1R)-1-(2-pyri…

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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) 1.88 5.37 -33.61 3 4 1 59 268.34 3 ↓
Mid Mid (pH 6-8) 1.88 4.16 -10.6 2 4 0 54 267.332 3 ↓
Lo Low (pH 4.5-6) 1.88 4.6 -37.88 3 4 1 55 268.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methyl-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1S)-1-(2-pyri…

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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) 1.88 5.46 -33.63 3 4 1 59 268.34 3 ↓
Mid Mid (pH 6-8) 1.88 4.24 -10.13 2 4 0 54 267.332 3 ↓
Lo Low (pH 4.5-6) 1.88 4.72 -31.73 3 4 1 55 268.34 3 ↓

Analogs

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Popular Name: (3S)-6-fluoro-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1R)-1-(2-pyri…

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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) 1.60 4.96 -34.5 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.60 3.6 -7.12 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.60 4.13 -34.07 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-fluoro-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1S)-1-(2-pyri…

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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) 1.60 4.85 -38.57 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.60 3.64 -7.86 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.60 4.05 -40.53 3 4 1 55 272.303 3 ↓

Analogs

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Popular Name: (3S)-4-bromo-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-4-bromo-3-[[(1R)-1-(2-pyrid…

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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) 2.22 4.31 -9.36 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.22 5.78 -28.25 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.22 4.25 -30.21 3 4 1 55 333.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-bromo-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-4-bromo-3-[[(1S)-1-(2-pyrid…

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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) 2.22 3.9 -9.09 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.22 5.43 -28.48 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.22 4.64 -30.37 3 4 1 55 333.209 3 ↓

Analogs

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Popular Name: (3S)-5-chloro-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-chloro-3-[[(1R)-1-(2-pyri…

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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) 2.11 5.41 -32.62 3 4 1 59 288.758 3 ↓
Mid Mid (pH 6-8) 2.11 4.05 -8.09 2 4 0 54 287.75 3 ↓
Mid Mid (pH 6-8) 2.11 4.58 -31.96 3 4 1 55 288.758 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-chloro-3-[[(1S)-1-(2-pyri…

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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) 2.11 5.3 -35.55 3 4 1 59 288.758 3 ↓
Mid Mid (pH 6-8) 2.11 4.09 -8.25 2 4 0 54 287.75 3 ↓
Mid Mid (pH 6-8) 2.11 4.5 -36.63 3 4 1 55 288.758 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-fluoro-3-[[(1R)-1-(2-pyri…

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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) 1.60 4.96 -33.26 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.60 3.6 -8.75 2 4 0 54 271.295 3 ↓
Mid Mid (pH 6-8) 1.60 4.12 -32.4 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-5-fluoro-3-[[(1S)-1-(2-pyri…

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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) 1.60 4.85 -36.13 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.60 3.63 -8.79 2 4 0 54 271.295 3 ↓
Mid Mid (pH 6-8) 1.60 4.03 -37.07 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-bromo-3-[[(1R)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-6-bromo-3-[[(1R)-1-(2-pyrid…

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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) 2.24 5.5 -34.04 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.24 4.67 -33.48 3 4 1 55 333.209 3 ↓
Mid Mid (pH 6-8) 2.24 4.15 -6.82 2 4 0 54 332.201 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-bromo-3-[[(1S)-1-(2-pyridyl)ethyl]amino]indolin-2-one (3S)-6-bromo-3-[[(1S)-1-(2-pyrid…

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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) 2.24 5.4 -38.02 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.24 4.18 -7.53 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.24 4.59 -39.96 3 4 1 55 333.209 3 ↓

Parameters Provided:

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

Structural Results Found: (before additional filtering)

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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 = 23936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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