UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4187711
4187711
6663680
6663680

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Popular Name: benzamide, 3-[[(cyclohexylamino)carbonyl]amino]-N-methyl-N-(phenylmethyl)- benzamide, 3-[[(cyclohexylamino)…

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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) 3.69 9.4 -23.28 2 5 0 61 365.477 5 ↓

Analogs

14565146
14565146
4187711
4187711
4588314
4588314

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Popular Name: benzamide, 3-[[(cyclohexylamino)carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[(cyclohexylamino)…

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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) 4.48 8.46 -25.08 3 5 0 70 365.477 5 ↓

Analogs

4187711
4187711
4588314
4588314

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, 3-[[(cyclohexylamino)carbonyl]amino]-N-(1-phenylethyl)- benzamide, 3-[[(cyclohexylamino)…

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) 4.48 8.51 -24.95 3 5 0 70 365.477 5 ↓

Parameters Provided:

ring.id = 247567
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 = 247567 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=247567&filter.purchasability=annotated

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