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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2797811
2797811

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Popular Name: (3S)-3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]phthalide (3S)-3-[3,5-bis(2,2,2-trifluoroe…

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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) 4.90 7.62 -15.92 1 5 0 57 421.293 8 ↓

Analogs

2797810
2797810

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Popular Name: (3R)-3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]phthalide (3R)-3-[3,5-bis(2,2,2-trifluoroe…

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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) 4.90 7.63 -15.72 1 5 0 57 421.293 8 ↓

Analogs

2798347
2798347

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Popular Name: (3R)-3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-6,7-dimethoxy-phthalide (3R)-3-[3,5-bis(2,2,2-trifluoroe…

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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) 4.72 6.97 -18.88 1 7 0 75 481.345 10 ↓

Analogs

2798346
2798346

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-6,7-dimethoxy-phthalide (3S)-3-[3,5-bis(2,2,2-trifluoroe…

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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) 4.72 6.97 -18.95 1 7 0 75 481.345 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]phthalide (3S)-3-[3-nitro-5-(2,2,2-trifluo…

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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) 3.88 7.58 -14.03 1 7 0 93 368.267 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]phthalide (3R)-3-[3-nitro-5-(2,2,2-trifluo…

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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) 3.88 7.6 -14.46 1 7 0 93 368.267 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-6,7-dimethoxy-3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]phthalide (3R)-6,7-dimethoxy-3-[3-nitro-5-…

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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) 3.70 6.94 -19.35 1 9 0 112 428.319 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-6,7-dimethoxy-3-[3-nitro-5-(2,2,2-trifluoroethoxy)anilino]phthalide (3S)-6,7-dimethoxy-3-[3-nitro-5-…

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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) 3.70 6.94 -18.84 1 9 0 112 428.319 8 ↓

Parameters Provided:

ring.id = 240322
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 = 240322 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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