UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19273788
19273788
37037964
37037964
37038330
37038330
37038335
37038335

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Popular Name: 2-(o-tolyl)-1-[4-[2-(o-tolyl)acetyl]-1,4-diazepan-1-yl]ethanone 2-(o-tolyl)-1-[4-[2-(o-tolyl)ace…

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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) 3.56 12.49 -19.18 0 4 0 41 364.489 4 ↓

Analogs

38640100
38640100

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Popular Name: 1H-1,4-diazepine, hexahydro-1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- 1H-1,4-diazepine, hexahydro-1,4-…

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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) 6.95 17.37 -17.1 0 4 0 41 476.705 8 ↓

Analogs

38640100
38640100

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-1,4-diazepine, hexahydro-1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- 1H-1,4-diazepine, hexahydro-1,4-…

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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) 6.95 17.64 -17.37 0 4 0 41 476.705 8 ↓

Analogs

38640100
38640100

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-1,4-diazepine, hexahydro-1,4-bis[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]- 1H-1,4-diazepine, hexahydro-1,4-…

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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) 6.95 17.39 -17.05 0 4 0 41 476.705 8 ↓

Parameters Provided:

ring.id = 248104
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 = 248104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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