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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: (3R)-1-(4-acetylphenyl)-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2, (3R)-1-(4-acetylphenyl)-3-[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) 3.37 11.3 -20.66 1 7 0 93 472.522 6 ↓

Analogs

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Popular Name: (3R)-1-(4-acetylphenyl)-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2, (3R)-1-(4-acetylphenyl)-3-[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) 3.37 11.32 -21.13 1 7 0 93 472.522 6 ↓

Analogs

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Popular Name: (3R)-1-(4-isopropylphenyl)-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine (3R)-1-(4-isopropylphenyl)-3-[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) 4.98 12.73 -16.61 1 6 0 76 472.566 6 ↓

Analogs

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Popular Name: (3R)-1-(4-isopropylphenyl)-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine (3R)-1-(4-isopropylphenyl)-3-[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) 4.98 12.75 -16.97 1 6 0 76 472.566 6 ↓

Analogs

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Popular Name: 4-[(3R)-2,5-dioxo-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidin-1-yl]benz 4-[(3R)-2,5-dioxo-3-[4-[[(1R)-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) 2.29 7.62 -24.06 3 8 0 119 473.51 6 ↓

Analogs

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Popular Name: 4-[(3R)-2,5-dioxo-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidin-1-yl]benz 4-[(3R)-2,5-dioxo-3-[4-[[(1S)-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) 2.29 7.61 -24.22 3 8 0 119 473.51 6 ↓

Analogs

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Popular Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2, (3R)-1-(4-ethoxyphenyl)-3-[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) 3.90 11.03 -17.4 1 7 0 85 474.538 7 ↓

Analogs

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Popular Name: (3R)-1-(4-ethoxyphenyl)-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2, (3R)-1-(4-ethoxyphenyl)-3-[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) 3.90 11.05 -17.79 1 7 0 85 474.538 7 ↓

Analogs

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Popular Name: (3R)-1-(4-nitrophenyl)-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2,5 (3R)-1-(4-nitrophenyl)-3-[4-[[(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) 3.43 11.54 -20.05 1 9 0 122 475.482 6 ↓

Analogs

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Popular Name: (3R)-1-(4-nitrophenyl)-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidine-2,5 (3R)-1-(4-nitrophenyl)-3-[4-[[(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) 3.43 11.53 -20.41 1 9 0 122 475.482 6 ↓

Analogs

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Popular Name: N-[4-[(3R)-2,5-dioxo-3-[4-[[(1R)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidin-1-yl]p N-[4-[(3R)-2,5-dioxo-3-[4-[[(1R)…

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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) 2.69 9.7 -22.99 2 8 0 105 487.537 6 ↓

Analogs

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Popular Name: N-[4-[(3R)-2,5-dioxo-3-[4-[[(1S)-3-oxo-1H-isobenzofuran-1-yl]amino]phenyl]sulfanyl-pyrrolidin-1-yl]p N-[4-[(3R)-2,5-dioxo-3-[4-[[(1S)…

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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) 2.69 9.72 -23.3 2 8 0 105 487.537 6 ↓

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) 3.64 11.46 -18.91 1 8 0 102 488.521 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) 3.64 11.48 -19.37 1 8 0 102 488.521 7 ↓

Parameters Provided:

ring.id = 111733
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 = 111733 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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