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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: 5-amino-1-[(5-chloro-2-methoxy-phenyl)methyl]indolin-2-one 5-amino-1-[(5-chloro-2-methoxy-p…

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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) 2.47 7.65 -8.25 2 4 0 56 302.761 3 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(5-chloro-2-methoxy-phenyl)methyl]indolin-2-one (3S)-3-amino-1-[(5-chloro-2-meth…

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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) 0.72 6.67 -8.23 2 4 0 56 302.761 3 ↓
Mid Mid (pH 6-8) 0.73 6.97 -44.83 3 4 1 57 303.769 3 ↓

Analogs

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Popular Name: 1-[(3-amino-4-chloro-phenyl)methyl]-6-chloro-indolin-2-one 1-[(3-amino-4-chloro-phenyl)meth…

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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) 3.50 7.76 -6.88 2 3 0 46 307.18 2 ↓

Analogs

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Popular Name: 1-[(2-chloro-5-nitro-phenyl)methyl]indolin-2-one 1-[(2-chloro-5-nitro-phenyl)meth…

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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) 3.32 9.85 -7.76 0 5 0 66 302.717 3 ↓

Analogs

37052024
37052024
37052028
37052028
37052035
37052035
37052036
37052036
37052037
37052037

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Popular Name: N-[(3R)-1-benzyl-2-keto-5-methyl-indolin-3-yl]acetamide N-[(3R)-1-benzyl-2-keto-5-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) 2.10 7.8 -14.66 1 4 0 49 294.354 3 ↓
Ref Reference (pH 7) 2.10 7.8 -15.25 1 4 0 49 294.354 3 ↓

Analogs

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Popular Name: 5-amino-1-[(2-chloro-6-fluoro-phenyl)methyl]indolin-2-one 5-amino-1-[(2-chloro-6-fluoro-ph…

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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) 2.55 6.92 -7.81 2 3 0 46 290.725 2 ↓

Analogs

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Popular Name: 1-[(3,4-dichlorophenyl)methyl]indolin-2-one 1-[(3,4-dichlorophenyl)methyl]in…

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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 9.78 -8.62 0 2 0 20 292.165 2 ↓

Analogs

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Popular Name: 1-[(4-bromophenyl)methyl]indolin-2-one 1-[(4-bromophenyl)methyl]indolin…

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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) 3.56 9.43 -7.14 0 2 0 20 302.171 2 ↓

Analogs

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Popular Name: (3S)-3-amino-1-[(3-chlorophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(3-chlorophenyl)…

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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) 0.95 6.35 -7.26 2 3 0 46 308.715 2 ↓
Lo Low (pH 4.5-6) 0.95 6.66 -43.24 3 3 1 48 309.723 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(3-hydroxyphenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(3-…

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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) -0.21 2.99 -8.14 3 4 0 67 290.269 2 ↓
Mid Mid (pH 6-8) -0.21 3.29 -45.11 4 4 1 68 291.277 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(2-fluorophenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(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) 0.41 5.65 -4.8 2 3 0 46 292.26 2 ↓
Mid Mid (pH 6-8) 0.41 5.95 -42.11 3 3 1 48 293.268 2 ↓

Analogs

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Popular Name: (3S)-3-amino-1-benzyl-4,6-difluoro-indolin-2-one (3S)-3-amino-1-benzyl-4,6-difluo…

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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) 0.29 5.84 -5.85 2 3 0 46 274.27 2 ↓
Mid Mid (pH 6-8) 0.29 6.15 -41.95 3 3 1 48 275.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2-bromophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(2-bromophenyl)m…

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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) 1.05 6.25 -5.97 2 3 0 46 353.166 2 ↓
Lo Low (pH 4.5-6) 1.06 6.57 -42.48 3 3 1 48 354.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-4,6-difluoro-1-[(2-hydroxyphenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(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) 0.23 4.24 -7.49 3 4 0 67 290.269 2 ↓
Hi High (pH 8-9.5) 0.23 5.2 -48.83 2 4 -1 69 289.261 2 ↓
Mid Mid (pH 6-8) 0.23 4.54 -40.83 4 4 1 68 291.277 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-[(4-hydroxyphenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(4-…

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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) -0.19 2.99 -7.76 3 4 0 67 290.269 2 ↓
Lo Low (pH 4.5-6) -0.19 3.29 -43.96 4 4 1 68 291.277 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(2-chlorophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(2-chlorophenyl)…

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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) 0.92 6.19 -6.47 2 3 0 46 308.715 2 ↓
Lo Low (pH 4.5-6) 0.92 6.5 -42.8 3 3 1 48 309.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(4-bromophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(4-bromophenyl)m…

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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) 1.10 6.47 -6.03 2 3 0 46 353.166 2 ↓
Mid Mid (pH 6-8) 1.10 6.77 -43.77 3 3 1 48 354.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(4-chlorophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(4-chlorophenyl)…

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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 6.36 -6.09 2 3 0 46 308.715 2 ↓
Mid Mid (pH 6-8) 0.97 6.67 -43.76 3 3 1 48 309.723 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-4,6-difluoro-1-[(4-fluorophenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(4-…

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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) 0.46 5.91 -6.7 2 3 0 46 292.26 2 ↓
Mid Mid (pH 6-8) 0.46 6.22 -44.49 3 3 1 48 293.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(3-bromophenyl)methyl]-4,6-difluoro-indolin-2-one (3S)-3-amino-1-[(3-bromophenyl)m…

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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) 1.08 6.46 -7.22 2 3 0 46 353.166 2 ↓
Lo Low (pH 4.5-6) 1.08 6.76 -43.2 3 3 1 48 354.174 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-4,6-difluoro-1-[(3-fluorophenyl)methyl]indolin-2-one (3S)-3-amino-4,6-difluoro-1-[(3-…

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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) 0.43 5.91 -8.28 2 3 0 46 292.26 2 ↓
Mid Mid (pH 6-8) 0.43 6.22 -44.08 3 3 1 48 293.268 2 ↓

Analogs

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Popular Name: (3S)-3-amino-4,6-difluoro-1-(o-tolylmethyl)indolin-2-one (3S)-3-amino-4,6-difluoro-1-(o-t…

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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) 0.69 6.86 -6.03 2 3 0 46 288.297 2 ↓
Mid Mid (pH 6-8) 0.69 7.19 -44.99 3 3 1 48 289.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-4,6-difluoro-1-(p-tolylmethyl)indolin-2-one (3S)-3-amino-4,6-difluoro-1-(p-t…

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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) 0.74 6.52 -5.87 2 3 0 46 288.297 2 ↓
Mid Mid (pH 6-8) 0.74 6.82 -41.88 3 3 1 48 289.305 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-4,6-difluoro-1-(m-tolylmethyl)indolin-2-one (3S)-3-amino-4,6-difluoro-1-(m-t…

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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) 0.72 6.51 -5.86 2 3 0 46 288.297 2 ↓
Mid Mid (pH 6-8) 0.72 6.81 -41.97 3 3 1 48 289.305 2 ↓

Parameters Provided:

ring.id = 39177
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 = 39177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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