UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14244172
14244172
34934159
34934159
34934161
34934161
34970803
34970803
34970804
34970804

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Popular Name: 4-[[(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-propanoyl]amino]benzamide 4-[[(2R)-2-[(2,2-diphenylacetyl)…

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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) 4.02 10.01 -15.97 4 6 0 101 477.564 9 ↓

Analogs

34934159
34934159
34934161
34934161
34970803
34970803
34970804
34970804
34970806
34970806

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(2S)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-propanoyl]amino]benzamide 4-[[(2S)-2-[(2,2-diphenylacetyl)…

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) 4.02 9.82 -17.96 4 6 0 101 477.564 9 ↓

Parameters Provided:

ring.id = 237674
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 = 237674 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=237674&filter.purchasability=annotated

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