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

Analogs

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Popular Name: (9S)-6,6-dimethyl-9-(3-methyl-2-thienyl)-2-[(4-nitrophenyl)methylsulfanyl]-4,5,7,9-tetrahydro-[1,2,4 (9S)-6,6-dimethyl-9-(3-methyl-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) 5.12 15.78 -19.21 1 8 0 106 481.603 5 ↓
Hi High (pH 8-9.5) 5.30 15.52 -41.45 0 8 -1 107 480.595 5 ↓
Mid Mid (pH 6-8) 5.30 16.06 -40.95 2 8 1 110 482.611 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-6,6-dimethyl-9-(3-methyl-2-thienyl)-2-[(4-nitrophenyl)methylsulfanyl]-4,5,7,9-tetrahydro-[1,2,4 (9R)-6,6-dimethyl-9-(3-methyl-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) 5.12 15.78 -19.23 1 8 0 106 481.603 5 ↓
Hi High (pH 8-9.5) 5.30 15.53 -41.17 0 8 -1 107 480.595 5 ↓
Mid Mid (pH 6-8) 5.30 16.07 -40.77 2 8 1 110 482.611 5 ↓

Analogs

17093259
17093259

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Popular Name: (9R)-2-benzylsulfanyl-6,6-dimethyl-9-(2-thienyl)-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin (9R)-2-benzylsulfanyl-6,6-dimeth…

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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) 4.79 14.54 -16.13 1 5 0 60 422.579 4 ↓
Mid Mid (pH 6-8) 1.49 5.82 -14.96 1 8 0 86 412.442 4 ↓

Parameters Provided:

ring.id = 3790
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 = 3790 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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