UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28824359
28824359
12812788
12812788

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(2-cyanoethyl)-N-[[(2S)-tetrahydrof 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 1.34 9.58 -16.35 1 8 0 103 460.534 8 ↓

Analogs

28824359
28824359
12812788
12812788

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-(2-cyanoethyl)-N-[[(2R)-tetrahydrof 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 1.34 9.93 -18.49 1 8 0 103 460.534 8 ↓

Analogs

894799
894799
12812788
12812788

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Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl] 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

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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) 2.14 5.99 -14.09 2 7 0 88 407.47 6 ↓

Analogs

894799
894799
12812788
12812788

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl] 2-[(3S)-3-benzyl-2,5-dioxo-3,4-d…

Find On: PubMed — Wikipedia — Google

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) 2.14 6.03 -12.98 2 7 0 88 407.47 6 ↓

Parameters Provided:

ring.id = 603864
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 = 603864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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