UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37792411
37792411
37792412
37792412
37832667
37832667
37832670
37832670
37832705
37832705

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Popular Name: 1-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[cyclopropyl(2-hydroxyethyl…

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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) 1.41 6.15 -59.71 1 5 -1 81 282.36 6 ↓
Lo Low (pH 4.5-6) 1.41 3.75 -12.17 2 5 0 78 283.368 6 ↓

Analogs

35282249
35282249
35282360
35282360
35282267
35282267
37504937
37504937

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Popular Name: 1-[2-[butyl(cyclopropyl)amino]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[butyl(cyclopropyl)amino]-2…

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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) 3.48 10.7 -60.95 0 4 -1 60 294.415 7 ↓
Lo Low (pH 4.5-6) 3.48 9.19 -11.57 1 4 0 58 295.423 7 ↓

Analogs

36133063
36133063
35282249
35282249
35282267
35282267
35282360
35282360

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Popular Name: 1-[2-[cyclopropyl(2-methoxyethyl)amino]-2-oxo-ethyl]cycloheptanecarboxylic 1-[2-[cyclopropyl(2-methoxyethyl…

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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) 2.02 8.63 -64.42 0 5 -1 70 296.387 7 ↓
Lo Low (pH 4.5-6) 2.02 7.11 -12.91 1 5 0 67 297.395 7 ↓

Parameters Provided:

ring.id = 64717
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 = 64717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=64717&filter.purchasability=annotated

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