UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45663272
45663272
45663275
45663275
45665251
45665251
45665253
45665253

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Popular Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1R)-1-(1,3-benzothiazol-2-yl…

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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) 2.92 7.25 -38.65 2 3 1 29 290.456 6 ↓
Mid Mid (pH 6-8) 2.92 8.54 -106.25 3 3 2 34 291.464 6 ↓

Analogs

45663272
45663272
45663275
45663275
45665251
45665251
45665253
45665253

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-yl-propan-1-amine N-[(1S)-1-(1,3-benzothiazol-2-yl…

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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) 2.92 7.23 -38.36 2 3 1 29 290.456 6 ↓
Mid Mid (pH 6-8) 2.92 8.55 -109.76 3 3 2 34 291.464 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-yl-propan-1-amine N-(1,3-benzothiazol-2-ylmethyl)-…

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) 2.37 6.67 -37.02 2 3 1 29 276.429 6 ↓
Lo Low (pH 4.5-6) 2.37 8.01 -107.21 3 3 2 34 277.437 6 ↓

Parameters Provided:

ring.id = 25666
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 = 25666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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