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

Analogs

9416301
9416301
10243813
10243813

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(o-tolyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfany N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 4.80 11.71 -21.97 2 8 0 106 508.654 7 ↓
Mid Mid (pH 6-8) 4.98 10.26 -50.56 1 8 -1 112 507.646 7 ↓

Analogs

9416301
9416301
10244026
10244026

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[3-(2-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl] N-(5-ethylsulfanyl-1,3,4-thiadia…

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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) 4.51 10.87 -23.98 2 8 0 106 512.617 7 ↓
Mid Mid (pH 6-8) 4.70 9.42 -52.97 1 8 -1 112 511.609 7 ↓

Parameters Provided:

ring.id = 100068
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 = 100068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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