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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-1-(4-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) 1.34 4.67 -42.7 3 4 1 59 254.313 3 ↓
Mid Mid (pH 6-8) 1.34 3.55 -8.66 2 4 0 54 253.305 3 ↓
Lo Low (pH 4.5-6) 1.34 5.11 -98.72 4 4 2 60 255.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-1-(4-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) 1.34 4.73 -44.55 3 4 1 59 254.313 3 ↓
Mid Mid (pH 6-8) 1.34 3.52 -7.94 2 4 0 54 253.305 3 ↓
Lo Low (pH 4.5-6) 1.34 5.06 -100.07 4 4 2 60 255.321 3 ↓

Analogs

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Popular Name: (3S)-5-bromo-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-bromo-3-[[(1R)-1-(4-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) 2.12 4.27 -8.69 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.13 5.25 -44.77 3 4 1 59 333.209 3 ↓
Lo Low (pH 4.5-6) 2.12 4.68 -35.97 3 4 1 55 333.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-bromo-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-bromo-3-[[(1S)-1-(4-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) 2.12 4.19 -7.87 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.13 5.33 -46.1 3 4 1 59 333.209 3 ↓
Lo Low (pH 4.5-6) 2.12 4.71 -34.42 3 4 1 55 333.209 3 ↓

Analogs

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Popular Name: (3S)-5-methyl-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1R)-1-(4-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) 1.77 5.28 -42.57 3 4 1 59 268.34 3 ↓
Mid Mid (pH 6-8) 1.77 4.08 -9.14 2 4 0 54 267.332 3 ↓
Lo Low (pH 4.5-6) 1.76 5.55 -100.04 4 4 2 60 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methyl-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1S)-1-(4-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) 1.77 5.37 -44.38 3 4 1 59 268.34 3 ↓
Mid Mid (pH 6-8) 1.77 4.23 -10.49 2 4 0 54 267.332 3 ↓
Lo Low (pH 4.5-6) 1.76 5.79 -98.93 4 4 2 60 269.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-fluoro-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1R)-1-(4-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) 1.48 4.7 -45.39 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.48 3.67 -7.32 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.48 4.18 -36.9 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-fluoro-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1S)-1-(4-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) 1.48 4.78 -49.92 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.48 3.59 -7.83 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.48 4.09 -41.26 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-bromo-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-4-bromo-3-[[(1R)-1-(4-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) 2.10 4.29 -8.75 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.10 5.23 -34.89 3 4 1 59 333.209 3 ↓
Lo Low (pH 4.5-6) 2.10 4.26 -32.95 3 4 1 55 333.209 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-bromo-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-4-bromo-3-[[(1S)-1-(4-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) 2.10 3.68 -8.16 2 4 0 54 332.201 3 ↓
Mid Mid (pH 6-8) 2.10 5.36 -36.41 3 4 1 59 333.209 3 ↓
Lo Low (pH 4.5-6) 2.10 4.69 -33.79 3 4 1 55 333.209 3 ↓

Analogs

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Popular Name: (3S)-5-chloro-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-chloro-3-[[(1R)-1-(4-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) 1.99 5.14 -44.8 3 4 1 59 288.758 3 ↓
Mid Mid (pH 6-8) 1.99 4.01 -8.6 2 4 0 54 287.75 3 ↓
Lo Low (pH 4.5-6) 1.99 4.64 -34.89 3 4 1 55 288.758 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-chloro-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-chloro-3-[[(1S)-1-(4-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) 1.99 5.23 -46.1 3 4 1 59 288.758 3 ↓
Mid Mid (pH 6-8) 1.99 4.05 -7.76 2 4 0 54 287.75 3 ↓
Lo Low (pH 4.5-6) 1.99 4.55 -38.13 3 4 1 55 288.758 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-fluoro-3-[[(1R)-1-(4-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) 1.48 4.7 -45.47 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.48 3.57 -9.16 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.48 4.17 -35.42 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-5-fluoro-3-[[(1S)-1-(4-pyri…

Find On: PubMed — Wikipedia — Google

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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) 1.48 4.79 -46.89 3 4 1 59 272.303 3 ↓
Mid Mid (pH 6-8) 1.48 3.58 -8.29 2 4 0 54 271.295 3 ↓
Lo Low (pH 4.5-6) 1.48 4.08 -38.52 3 4 1 55 272.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-bromo-3-[[(1R)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-6-bromo-3-[[(1R)-1-(4-pyrid…

Find On: PubMed — Wikipedia — Google

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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) 2.13 5.25 -44.91 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.13 4.21 -6.93 2 4 0 54 332.201 3 ↓
Lo Low (pH 4.5-6) 2.12 4.73 -36.35 3 4 1 55 333.209 3 ↓

Analogs

36794855
36794855
36794857
36794857
37052459
37052459
37126522
37126522
37126523
37126523

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-bromo-3-[[(1S)-1-(4-pyridyl)ethyl]amino]indolin-2-one (3S)-6-bromo-3-[[(1S)-1-(4-pyrid…

Find On: PubMed — Wikipedia — Google

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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) 2.13 5.32 -49.24 3 4 1 59 333.209 3 ↓
Mid Mid (pH 6-8) 2.13 4.14 -7.43 2 4 0 54 332.201 3 ↓
Lo Low (pH 4.5-6) 2.12 4.65 -40.69 3 4 1 55 333.209 3 ↓

Parameters Provided:

ring.id = 23416
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 = 23416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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