UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25462157
25462157
37848638
37848638
37848639
37848639
37849698
37849698
37849699
37849699

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Popular Name: (2R)-1-benzyloxy-3-[2-[[(2R)-3-benzyloxy-2-hydroxy-propyl]amino]ethylamino]propan-2-ol (2R)-1-benzyloxy-3-[2-[[(2R)-3-b…

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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) 1.05 3.97 -129.55 6 6 2 92 390.524 15 ↓

Analogs

37848638
37848638
37848639
37848639
37849698
37849698
37849699
37849699
37851867
37851867

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Popular Name: (2S)-1-benzyloxy-3-[2-[[(2S)-3-benzyloxy-2-hydroxy-propyl]amino]ethylamino]propan-2-ol (2S)-1-benzyloxy-3-[2-[[(2S)-3-b…

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) 1.05 4.03 -129.31 6 6 2 92 390.524 15 ↓

Parameters Provided:

ring.id = 147416
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 = 147416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=147416&filter.purchasability=annotated

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