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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: N-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-3-nitro-aniline N-[[(2S)-2,3-dihydrobenzofuran-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) 3.79 8.36 -10.79 1 5 0 67 284.315 4 ↓

Analogs

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Popular Name: N-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-3-nitro-aniline N-[[(2R)-2,3-dihydrobenzofuran-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) 3.79 8.38 -10.78 1 5 0 67 284.315 4 ↓

Analogs

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Popular Name: N1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-benzene-1,3-diamine N1-[[(2S)-2,3-dihydrobenzofuran-…

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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 5.67 -6.44 3 3 0 47 254.333 3 ↓

Analogs

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Popular Name: N1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-benzene-1,3-diamine N1-[[(2R)-2,3-dihydrobenzofuran-…

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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 5.69 -6.37 3 3 0 47 254.333 3 ↓

Analogs

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Popular Name: N1-[[(2R)-2,3-dihydrobenzofuran-2-yl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(2R)-2,3-dihydrobenzofuran-…

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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) 2.83 5.91 -10.93 3 6 0 93 285.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N1-[[(2S)-2,3-dihydrobenzofuran-2-yl]methyl]-4-nitro-benzene-1,2-diamine N1-[[(2S)-2,3-dihydrobenzofuran-…

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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) 2.83 5.91 -10.97 3 6 0 93 285.303 4 ↓

Analogs

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Popular Name: 5-chloro-2-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzonitrile 5-chloro-2-[[(2R)-2,3-dihydroben…

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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 7.96 -9.34 1 3 0 45 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzonitrile 5-chloro-2-[[(2S)-2,3-dihydroben…

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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 7.96 -9.27 1 3 0 45 284.746 3 ↓

Analogs

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Popular Name: 5-chloro-2-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 5-chloro-2-[[(2R)-2,3-dihydroben…

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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) 3.86 6.83 -15.47 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 5-chloro-2-[[(2S)-2,3-dihydroben…

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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) 3.86 6.82 -13.08 3 3 0 47 318.829 4 ↓

Analogs

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Popular Name: 2-chloro-6-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 2-chloro-6-[[(2R)-2,3-dihydroben…

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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) 3.84 6.73 -13.58 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 2-chloro-6-[[(2S)-2,3-dihydroben…

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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) 3.84 6.72 -16.22 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzonitrile 4-chloro-2-[[(2R)-2,3-dihydroben…

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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 7.96 -8.17 1 3 0 45 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzonitrile 4-chloro-2-[[(2S)-2,3-dihydroben…

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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 7.96 -8.14 1 3 0 45 284.746 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 4-chloro-2-[[(2R)-2,3-dihydroben…

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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) 3.86 6.82 -14.45 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 4-chloro-2-[[(2S)-2,3-dihydroben…

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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) 3.86 6.81 -12.02 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzoic 3-chloro-4-[[(2R)-2,3-dihydroben…

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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) 3.97 8.17 -51.48 1 4 -1 61 302.737 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzoic 3-chloro-4-[[(2S)-2,3-dihydroben…

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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) 3.97 8.17 -51.45 1 4 -1 61 302.737 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 3-chloro-4-[[(2R)-2,3-dihydroben…

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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) 3.86 6.86 -13.57 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzenecarbothioamide 3-chloro-4-[[(2S)-2,3-dihydroben…

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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) 3.86 6.86 -14.04 3 3 0 47 318.829 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(2R)-2,3-dihydrobenzofuran-2-yl]methylamino]benzoic 4-amino-2-[[(2R)-2,3-dihydrobenz…

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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 5.73 -58.47 3 5 -1 87 283.307 4 ↓
Lo Low (pH 4.5-6) 2.55 3.74 -11.31 4 5 0 85 284.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[[(2S)-2,3-dihydrobenzofuran-2-yl]methylamino]benzoic 4-amino-2-[[(2S)-2,3-dihydrobenz…

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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 5.73 -58.95 3 5 -1 87 283.307 4 ↓
Lo Low (pH 4.5-6) 2.55 3.74 -11.4 4 5 0 85 284.315 4 ↓

Parameters Provided:

ring.id = 5557
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 = 5557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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