UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44686898
44686898
44686900
44686900
44686903
44686903
44686905
44686905
45653916
45653916

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Popular Name: (4R)-6-chloro-N-(2-pyrrolidin-1-ylethyl)thiochroman-4-amine (4R)-6-chloro-N-(2-pyrrolidin-1-…

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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) 2.38 7.18 -42.47 2 2 1 20 297.875 4 ↓
Mid Mid (pH 6-8) 2.38 8.75 -38.07 2 2 1 16 297.875 4 ↓
Lo Low (pH 4.5-6) 2.38 9.56 -125.95 3 2 2 21 298.883 4 ↓

Analogs

44686898
44686898
44686900
44686900
44686903
44686903
44686905
44686905
45653916
45653916

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-6-chloro-N-(2-pyrrolidin-1-ylethyl)thiochroman-4-amine (4S)-6-chloro-N-(2-pyrrolidin-1-…

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) 2.38 7.16 -42.61 2 2 1 20 297.875 4 ↓
Mid Mid (pH 6-8) 2.38 8.43 -34.02 2 2 1 16 297.875 4 ↓
Lo Low (pH 4.5-6) 2.38 9.61 -125.86 3 2 2 21 298.883 4 ↓

Parameters Provided:

ring.id = 24752
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 = 24752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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