UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37781539
37781539
37781569
37781569
37781574
37781574
37781578
37781578
37781579
37781579

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Popular Name: N-[(1S)-1-cyclohexylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline N-[(1S)-1-cyclohexylethyl]-3-(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) 4.70 10.61 -11.64 1 4 0 43 284.407 4 ↓

Analogs

37781551
37781551
37781552
37781552
37781569
37781569
37781574
37781574
37781578
37781578

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline N-[(1R)-1-cyclohexylethyl]-3-(4-…

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) 4.70 10.61 -11.66 1 4 0 43 284.407 4 ↓

Parameters Provided:

ring.id = 563376
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 = 563376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=563376&filter.purchasability=annotated

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