UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45664107
45664107
45684566
45684566

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Popular Name: N-[bis(2-thienyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[bis(2-thienyl)methyl]-3-pyrro…

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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) 3.78 9.09 -34.18 2 2 1 16 307.508 7 ↓
Lo Low (pH 4.5-6) 3.78 10.27 -100.22 3 2 2 21 308.516 7 ↓

Analogs

45664108
45664108
45664109
45664109

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Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-thienyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(S)-(5-chloro-2-thienyl)-(2-t…

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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) 4.58 9.69 -35.11 2 2 1 16 341.953 7 ↓
Lo Low (pH 4.5-6) 4.58 10.89 -104.68 3 2 2 21 342.961 7 ↓

Analogs

44686914
44686914
44686918
44686918
44686921
44686921
44686924
44686924
45664108
45664108

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Popular Name: N-[(R)-(5-chloro-2-thienyl)-(2-thienyl)methyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(R)-(5-chloro-2-thienyl)-(2-t…

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) 4.58 9.71 -35.04 2 2 1 16 341.953 7 ↓
Lo Low (pH 4.5-6) 4.58 10.89 -104.83 3 2 2 21 342.961 7 ↓

Parameters Provided:

ring.id = 550068
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 = 550068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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