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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: (2S)-1-isoindolin-2-yl-2-phenyl-propan-2-amine (2S)-1-isoindolin-2-yl-2-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) 2.77 6.39 -42.77 3 2 1 31 253.369 3 ↓
Hi High (pH 8-9.5) 2.77 6.26 -3.46 2 2 0 29 252.361 3 ↓
Lo Low (pH 4.5-6) 2.77 8.36 -39.57 3 2 1 30 253.369 3 ↓

Analogs

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Popular Name: (2R)-1-isoindolin-2-yl-2-phenyl-propan-2-amine (2R)-1-isoindolin-2-yl-2-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) 2.77 6.4 -41.86 3 2 1 31 253.369 3 ↓
Hi High (pH 8-9.5) 2.77 6.21 -3.06 2 2 0 29 252.361 3 ↓
Lo Low (pH 4.5-6) 2.77 8.48 -35.5 3 2 1 30 253.369 3 ↓

Analogs

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Popular Name: 2-(2-isoindolin-2-ylethyl)aniline 2-(2-isoindolin-2-ylethyl)aniline

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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) 2.57 8.47 -40.18 3 2 1 30 239.342 3 ↓
Mid Mid (pH 6-8) 2.57 5.91 -3.88 2 2 0 29 238.334 3 ↓

Analogs

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Popular Name: (2R)-2-amino-3-isoindolin-2-yl-2-phenyl-propan-1-ol (2R)-2-amino-3-isoindolin-2-yl-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) 1.76 3.19 -44.94 4 3 1 51 269.368 4 ↓
Hi High (pH 8-9.5) 1.76 2.99 -4.65 3 3 0 49 268.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-3-isoindolin-2-yl-2-phenyl-propan-1-ol (2S)-2-amino-3-isoindolin-2-yl-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) 1.76 3.19 -45.47 4 3 1 51 269.368 4 ↓
Hi High (pH 8-9.5) 1.76 3.04 -4.9 3 3 0 49 268.36 4 ↓

Analogs

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Popular Name: (2S)-3-isoindolin-2-yl-2-(methylamino)-2-phenyl-propan-1-ol (2S)-3-isoindolin-2-yl-2-(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) 2.13 4.59 -40.16 3 3 1 40 283.395 5 ↓
Hi High (pH 8-9.5) 2.13 3.56 -4.27 2 3 0 35 282.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-isoindolin-2-yl-2-(methylamino)-2-phenyl-propan-1-ol (2R)-3-isoindolin-2-yl-2-(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) 2.13 4.48 -37.98 3 3 1 40 283.395 5 ↓
Hi High (pH 8-9.5) 2.13 2.84 -4.77 2 3 0 35 282.387 5 ↓

Parameters Provided:

ring.id = 30695
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 = 30695 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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