UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38600360
38600360

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Popular Name: 10,11-Dihydro-N-(2-hydroxyethyl)-N-methyl-5H-pyrido[2,3-c][2]benzazepine-10-carboxamide 10,11-Dihydro-N-(2-hydroxyethyl)…

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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) 1.30 4.23 -15.63 2 5 0 65 297.358 3 ↓
Lo Low (pH 4.5-6) 1.30 4.7 -31.25 3 5 1 67 298.366 3 ↓

Analogs

38600356
38600356

Draw Identity 99% 90% 80% 70%

Popular Name: 10,11-Dihydro-N-(2-hydroxyethyl)-N-methyl-5H-pyrido[2,3-c][2]benzazepine-10-carboxamide 10,11-Dihydro-N-(2-hydroxyethyl)…

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) 1.30 4.32 -15.4 2 5 0 65 297.358 3 ↓
Lo Low (pH 4.5-6) 1.30 4.78 -30.39 3 5 1 67 298.366 3 ↓

Parameters Provided:

ring.id = 597207
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 = 597207 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=597207&filter.purchasability=annotated

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