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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-(4-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-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) 3.31 6.95 -41.83 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.31 5.82 -7.06 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-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) 3.31 7.02 -43.44 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.31 5.84 -6.21 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-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) 3.26 6.9 -39.04 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.26 5.85 -6.51 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-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) 3.26 6.7 -34.72 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.26 5.77 -7.72 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-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) 3.28 6.91 -36.68 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.28 5.89 -6.17 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]indolin-2-one (3S)-3-[[(1S)-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) 3.28 7.01 -43.63 3 3 1 46 287.77 3 ↓
Mid Mid (pH 6-8) 3.28 5.83 -7 2 3 0 41 286.762 3 ↓

Analogs

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Popular Name: (3S)-3-[[(1R)-1-(o-tolyl)ethyl]amino]indolin-2-one (3S)-3-[[(1R)-1-(o-tolyl)ethyl]a…

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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) 3.03 6.94 -37.13 3 3 1 46 267.352 3 ↓
Mid Mid (pH 6-8) 3.03 6.02 -6.66 2 3 0 41 266.344 3 ↓

Analogs

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

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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) 3.03 6.81 -36.35 3 3 1 46 267.352 3 ↓
Mid Mid (pH 6-8) 3.03 5.85 -7.03 2 3 0 41 266.344 3 ↓

Analogs

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

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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) 3.82 6.59 -6.81 2 3 0 41 345.24 3 ↓
Mid Mid (pH 6-8) 3.82 7.61 -39.39 3 3 1 46 346.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.82 6.48 -6.72 2 3 0 41 345.24 3 ↓
Mid Mid (pH 6-8) 3.82 7.64 -41.05 3 3 1 46 346.248 3 ↓

Analogs

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

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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) 3.46 7.64 -37.16 3 3 1 46 281.379 3 ↓
Mid Mid (pH 6-8) 3.46 6.48 -7.9 2 3 0 41 280.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-methyl-3-[[(1S)-1-(o-tolyl)ethyl]amino]indolin-2-one (3S)-5-methyl-3-[[(1S)-1-(o-toly…

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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) 3.46 7.69 -39.2 3 3 1 46 281.379 3 ↓
Mid Mid (pH 6-8) 3.46 6.7 -9.01 2 3 0 41 280.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.17 7.01 -42.09 3 3 1 46 285.342 3 ↓
Hi High (pH 8-9.5) 3.36 4.94 -31.01 2 3 0 52 284.334 3 ↓
Mid Mid (pH 6-8) 3.17 6.12 -5.95 2 3 0 41 284.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6-fluoro-3-[[(1S)-1-(o-tolyl)ethyl]amino]indolin-2-one (3S)-6-fluoro-3-[[(1S)-1-(o-toly…

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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) 3.17 6.87 -41.01 3 3 1 46 285.342 3 ↓
Hi High (pH 8-9.5) 3.36 5.26 -31.68 2 3 0 52 284.334 3 ↓
Mid Mid (pH 6-8) 3.17 5.92 -6.55 2 3 0 41 284.334 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.79 6.32 -9.42 2 3 0 41 345.24 3 ↓
Hi High (pH 8-9.5) 3.98 5.8 -21.41 2 3 0 52 345.24 3 ↓
Mid Mid (pH 6-8) 3.79 7.19 -32.83 3 3 1 46 346.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.79 6.45 -7.49 2 3 0 41 345.24 3 ↓
Hi High (pH 8-9.5) 3.98 5.45 -21.76 2 3 0 52 345.24 3 ↓
Mid Mid (pH 6-8) 3.79 7.67 -31.93 3 3 1 46 346.248 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.17 6 -7.53 2 3 0 41 284.334 3 ↓
Mid Mid (pH 6-8) 3.17 7.03 -40.07 3 3 1 46 285.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-5-fluoro-3-[[(1S)-1-(o-tolyl)ethyl]amino]indolin-2-one (3S)-5-fluoro-3-[[(1S)-1-(o-toly…

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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) 3.17 5.91 -7.3 2 3 0 41 284.334 3 ↓
Mid Mid (pH 6-8) 3.17 7.09 -41.76 3 3 1 46 285.342 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.82 7.56 -41.53 3 3 1 46 346.248 3 ↓
Hi High (pH 8-9.5) 4.00 5.47 -30.05 2 3 0 52 345.24 3 ↓
Mid Mid (pH 6-8) 3.82 6.66 -5.56 2 3 0 41 345.24 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.82 7.43 -40.49 3 3 1 46 346.248 3 ↓
Hi High (pH 8-9.5) 4.00 5.79 -30.59 2 3 0 52 345.24 3 ↓
Mid Mid (pH 6-8) 3.82 6.46 -6.11 2 3 0 41 345.24 3 ↓

Analogs

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Popular Name: (3S)-5-chloro-3-[(2-methoxyphenyl)methylamino]indolin-2-one (3S)-5-chloro-3-[(2-methoxypheny…

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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) 2.73 4.39 -8.41 2 4 0 50 302.761 4 ↓
Mid Mid (pH 6-8) 2.73 5.7 -39.66 3 4 1 55 303.769 4 ↓

Analogs

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

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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 6.59 -7.09 2 3 0 41 365.658 3 ↓
Mid Mid (pH 6-8) 4.04 7.45 -39.15 3 3 1 46 366.666 3 ↓

Analogs

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

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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 6.4 -7.34 2 3 0 41 365.658 3 ↓
Mid Mid (pH 6-8) 4.04 7.57 -42.03 3 3 1 46 366.666 3 ↓

Analogs

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Popular Name: (3S)-5-chloro-3-[(2-chlorophenyl)methylamino]indolin-2-one (3S)-5-chloro-3-[(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) 3.35 5.44 -6.76 2 3 0 41 307.18 3 ↓
Mid Mid (pH 6-8) 3.35 6.78 -35.51 3 3 1 46 308.188 3 ↓

Analogs

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

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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) 3.38 7.61 -35.18 3 3 1 46 281.379 4 ↓
Mid Mid (pH 6-8) 3.38 6.84 -6.92 2 3 0 41 280.371 4 ↓

Analogs

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

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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) 3.38 7.47 -35.43 3 3 1 46 281.379 4 ↓
Mid Mid (pH 6-8) 3.38 6.74 -7.97 2 3 0 41 280.371 4 ↓

Analogs

22143587
22143587
20597028
20597028

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Popular Name: (3R)-3-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]indolin-2-one (3R)-3-[[(1R)-1-(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) 3.46 7.68 -36.84 3 3 1 46 281.379 3 ↓
Hi High (pH 8-9.5) 3.46 6.78 -8.23 2 3 0 41 280.371 3 ↓

Analogs

22143587
22143587
20597028
20597028

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]indolin-2-one (3R)-3-[[(1S)-1-(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) 3.46 7.44 -36.38 3 3 1 46 281.379 3 ↓
Hi High (pH 8-9.5) 3.46 6.55 -7.28 2 3 0 41 280.371 3 ↓

Analogs

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Popular Name: 2H-indol-2-one, 3-[[(2-chloro-4,5-dimethoxyphenyl)methyl]amino]-1,3-dihydro- 2H-indol-2-one, 3-[[(2-chloro-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) 2.32 5.49 -42.19 3 5 1 64 333.795 5 ↓
Hi High (pH 8-9.5) 2.32 4.21 -11.18 2 5 0 60 332.787 5 ↓
Hi High (pH 8-9.5) 2.32 4.21 -8.18 2 5 0 60 332.787 5 ↓

Parameters Provided:

ring.id = 23565
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 = 23565 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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