UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41192113
41192113

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Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-propyl-indan-2-amine 2-(5,6-dihydro-4H-cyclopenta[d]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) 4.06 9.36 -32.15 2 2 1 29 299.463 4 ↓
Mid Mid (pH 6-8) 4.06 8.26 -5.67 1 2 0 25 298.455 4 ↓
Lo Low (pH 4.5-6) 4.06 9.79 -98.18 3 2 2 31 300.471 4 ↓

Analogs

41201268
41201268
41192113
41192113

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-isopropyl-indan-2-amine 2-(5,6-dihydro-4H-cyclopenta[d]t…

Find On: PubMed — Wikipedia — Google

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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) 3.85 9.12 -30.61 2 2 1 29 299.463 3 ↓
Mid Mid (pH 6-8) 3.85 8.1 -5.74 1 2 0 25 298.455 3 ↓

Parameters Provided:

ring.id = 520965
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 = 520965 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=520965&filter.purchasability=annotated

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