UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35500759
35500759
35500636
35500636
35500637
35500637
35500638
35500638
35500639
35500639

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Popular Name: 6-[(R)-cyclopentyl(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-cyclopentyl(methylamino)m…

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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) 2.68 5.04 -53.79 3 4 1 63 247.318 3 ↓
Hi High (pH 8-9.5) 3.13 2.39 -75.29 2 4 0 66 246.31 3 ↓

Analogs

35500636
35500636
35500637
35500637
35500638
35500638
35500639
35500639
35500708
35500708

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-cyclopentyl(methylamino)methyl]-3H-1,3-benzoxazol-2-one 6-[(S)-cyclopentyl(methylamino)m…

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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) 2.68 4.81 -54.23 3 4 1 63 247.318 3 ↓
Hi High (pH 8-9.5) 3.13 2.34 -75.57 2 4 0 66 246.31 3 ↓

Parameters Provided:

ring.id = 18206
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 = 18206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18206&filter.purchasability=annotated

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