UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43609090
43609090

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Popular Name: 2-[[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)acetamide 2-[[(2S)-3-carbazol-9-yl-2-hydro…

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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 9.06 -62.08 3 7 1 85 393.467 7 ↓
Hi High (pH 8-9.5) 2.92 6.75 -18.77 2 7 0 84 392.459 7 ↓

Analogs

43609086
43609086

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Popular Name: 2-[[(2R)-3-carbazol-9-yl-2-hydroxy-propyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)acetamide 2-[[(2R)-3-carbazol-9-yl-2-hydro…

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) 2.92 9.02 -62.16 3 7 1 85 393.467 7 ↓
Hi High (pH 8-9.5) 2.92 6.7 -18.86 2 7 0 84 392.459 7 ↓

Parameters Provided:

ring.id = 2323
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 = 2323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2323&filter.purchasability=annotated

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