UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34926445
34926445
34926446
34926446
34926447
34926447

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Popular Name: (1S,2R)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[4-[[(2R)-tetrahydrofu…

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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) 0.55 8.01 -64.4 1 6 0 74 296.367 4 ↓
Lo Low (pH 4.5-6) 0.55 5.62 -42.85 2 6 1 71 297.375 4 ↓

Analogs

34926445
34926445
34926446
34926446
34926447
34926447

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]cyclopropanecarboxylic (1S,2R)-2-[4-[[(2S)-tetrahydrofu…

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) 0.55 7.93 -65.69 1 6 0 74 296.367 4 ↓
Lo Low (pH 4.5-6) 0.55 6 -43.17 2 6 1 71 297.375 4 ↓

Parameters Provided:

ring.id = 581731
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 = 581731 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=581731&filter.purchasability=annotated

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