UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)me [4-[(1-ethylimidazol-2-yl)methyl…

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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) 0.75 7.51 -36.03 2 7 1 71 343.455 4 ↓
Hi High (pH 8-9.5) 0.75 7.6 -14.6 1 7 0 70 342.447 4 ↓
Lo Low (pH 4.5-6) 0.75 8.87 -48.83 2 7 1 71 343.455 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)m [4-[(1-methylimidazol-2-yl)methy…

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) 0.38 6.69 -37.19 2 7 1 71 329.428 3 ↓
Hi High (pH 8-9.5) 0.38 6.72 -15.08 1 7 0 70 328.42 3 ↓
Lo Low (pH 4.5-6) 0.38 8 -49.31 2 7 1 71 329.428 3 ↓

Parameters Provided:

ring.id = 449125
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 = 449125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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