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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: 2-(3-indolin-1-ylpropoxy)benzoic 2-(3-indolin-1-ylpropoxy)benzoic

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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) 3.93 -1.02 -61.17 0 4 -1 53 296.346 6 ↓

Analogs

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Popular Name: 4-[(2S)-2-hydroxy-3-indolin-1-yl-propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-indolin-1-yl…

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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) 2.82 7.35 -11.13 1 4 0 56 294.354 5 ↓

Analogs

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Popular Name: 4-[(2R)-2-hydroxy-3-indolin-1-yl-propoxy]benzonitrile 4-[(2R)-2-hydroxy-3-indolin-1-yl…

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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) 2.82 7.27 -11.3 1 4 0 56 294.354 5 ↓

Analogs

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Popular Name: 1-[4-[(2R)-2-hydroxy-3-indolin-1-yl-propoxy]-3-methoxy-phenyl]ethanone 1-[4-[(2R)-2-hydroxy-3-indolin-1…

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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) 2.56 7.3 -16.99 1 5 0 59 341.407 7 ↓

Analogs

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Popular Name: 1-[4-[(2S)-2-hydroxy-3-indolin-1-yl-propoxy]-3-methoxy-phenyl]ethanone 1-[4-[(2S)-2-hydroxy-3-indolin-1…

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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) 2.56 7.37 -16.75 1 5 0 59 341.407 7 ↓

Analogs

25405160
25405160
25405163
25405163

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Popular Name: methyl 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) 3.24 7.54 -11.35 1 5 0 59 327.38 7 ↓

Analogs

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Popular Name: methyl 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) 3.24 7.61 -11.15 1 5 0 59 327.38 7 ↓

Analogs

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Popular Name: 1-[3-[(2S)-2-hydroxy-3-[(2R)-2-methylindolin-1-yl]propoxy]phenyl]ethanone 1-[3-[(2S)-2-hydroxy-3-[(2R)-2-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) 3.27 7.85 -15.47 1 4 0 50 325.408 6 ↓
Lo Low (pH 4.5-6) 3.27 8.3 -45.3 2 4 1 51 326.416 6 ↓

Analogs

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Popular Name: 1-[3-[(2S)-2-hydroxy-3-[(2S)-2-methylindolin-1-yl]propoxy]phenyl]ethanone 1-[3-[(2S)-2-hydroxy-3-[(2S)-2-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) 3.27 7.96 -15.7 1 4 0 50 325.408 6 ↓
Lo Low (pH 4.5-6) 3.27 8.01 -42.88 2 4 1 51 326.416 6 ↓

Analogs

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Popular Name: (2R)-1-indolin-1-yl-3-(4-methylphenoxy)propan-2-ol (2R)-1-indolin-1-yl-3-(4-methylp…

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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) 3.52 7.54 -8.71 1 3 0 33 283.371 5 ↓

Analogs

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Popular Name: (2S)-1-indolin-1-yl-3-(4-methylphenoxy)propan-2-ol (2S)-1-indolin-1-yl-3-(4-methylp…

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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) 3.52 7.62 -8.43 1 3 0 33 283.371 5 ↓

Analogs

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Popular Name: (2S)-1-[(2R)-2-methylindolin-1-yl]-3-phenoxy-propan-2-ol (2S)-1-[(2R)-2-methylindolin-1-y…

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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) 3.40 7.43 -8.22 1 3 0 33 283.371 5 ↓
Lo Low (pH 4.5-6) 3.40 7.81 -37.75 2 3 1 34 284.379 5 ↓

Analogs

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Popular Name: (2S)-1-[(2S)-2-methylindolin-1-yl]-3-phenoxy-propan-2-ol (2S)-1-[(2S)-2-methylindolin-1-y…

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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) 3.40 7.55 -8.43 1 3 0 33 283.371 5 ↓
Lo Low (pH 4.5-6) 3.40 7.81 -33.87 2 3 1 34 284.379 5 ↓

Parameters Provided:

ring.id = 41939
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 = 41939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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