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

Analogs

17073075
17073075
17073076
17073076

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-2-[(2-chlorophenyl)methylsulfanyl]-6,6-dimethyl-9-styryl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1 (9R)-2-[(2-chlorophenyl)methylsu…

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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) 6.28 17.13 -17.06 1 5 0 60 477.033 5 ↓
Hi High (pH 8-9.5) 6.45 17.29 -46.62 0 5 -1 61 476.025 5 ↓

Analogs

17073075
17073075
17073076
17073076

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-2-[(2-chlorophenyl)methylsulfanyl]-6,6-dimethyl-9-styryl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1 (9S)-2-[(2-chlorophenyl)methylsu…

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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) 6.28 17.14 -16.91 1 5 0 60 477.033 5 ↓
Hi High (pH 8-9.5) 6.45 16.88 -47.39 0 5 -1 61 476.025 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-6,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-9-styryl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1- (9R)-6,6-dimethyl-2-[(4-nitrophe…

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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) 5.61 17.42 -19.96 1 8 0 106 487.585 6 ↓
Hi High (pH 8-9.5) 5.78 17.57 -43.58 0 8 -1 107 486.577 6 ↓
Mid Mid (pH 6-8) 2.23 7.36 -17.63 1 8 0 86 442.512 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9S)-6,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-9-styryl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1- (9S)-6,6-dimethyl-2-[(4-nitrophe…

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Activity (Go SEA)

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) 5.61 17.43 -19.74 1 8 0 106 487.585 6 ↓
Hi High (pH 8-9.5) 5.78 17.16 -44.22 0 8 -1 107 486.577 6 ↓
Mid Mid (pH 6-8) 2.79 8.48 -14.91 1 6 0 68 382.46 5 ↓

Parameters Provided:

ring.id = 113043
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 = 113043 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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