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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: 4-methylbenzyl 6-(4-methyl-3-cyclohexen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide 4-methylbenzyl 6-(4-methyl-3-cyc…

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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) 6.27 -2.93 -8.25 1 5 0 59 430.577 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylbenzyl 6-(4-methyl-3-cyclohexen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide 4-methylbenzyl 6-(4-methyl-3-cyc…

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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) 6.27 -2.88 -8.6 1 5 0 59 430.577 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylbenzyl 6-(4-methyl-3-cyclohexen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide 4-methylbenzyl 6-(4-methyl-3-cyc…

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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) 6.27 -2.91 -8.57 1 5 0 59 430.577 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methylbenzyl 6-(4-methyl-3-cyclohexen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide 4-methylbenzyl 6-(4-methyl-3-cyc…

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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) 6.27 -3 -8.15 1 5 0 59 430.577 4 ↓

Analogs

8452909
8452909
8452910
8452910
8452911
8452911
8723349
8723349
8723350
8723350

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Popular Name: 3-[(4-methylbenzyl)sulfanyl]-6-[6-methyl-4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 3-[(4-methylbenzyl)sulfanyl]-6-[…

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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) 8.59 -1.61 -8.49 1 5 0 59 512.723 7 ↓

Parameters Provided:

ring.id = 233028
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 = 233028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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