UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12401917
12401917

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Popular Name: dimethyl-[(1S)-1-phenylethyl]BLAHone dimethyl-[(1S)-1-phenylethyl]BLA…

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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) 2.85 8.09 -30.76 2 5 1 51 343.476 2 ↓
Mid Mid (pH 6-8) 3.49 7.94 -24.09 1 5 0 58 342.468 2 ↓
Mid Mid (pH 6-8) 3.49 6.88 -19.57 1 5 0 58 342.468 2 ↓

Analogs

12401916
12401916

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Popular Name: dimethyl-[(1R)-1-phenylethyl]BLAHone dimethyl-[(1R)-1-phenylethyl]BLA…

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) 2.85 8.01 -34.02 2 5 1 51 343.476 2 ↓
Mid Mid (pH 6-8) 3.49 7.9 -27 1 5 0 58 342.468 2 ↓
Mid Mid (pH 6-8) 3.49 6.8 -20.34 1 5 0 58 342.468 2 ↓

Parameters Provided:

ring.id = 100537
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 = 100537 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=100537&filter.purchasability=annotated

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