UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33731142
33731142
32133555
32133555
32133557
32133557

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[[(1S)-2-morpholino-1-(p-tolyl)ethyl]amino]acetamide N-(2-furylmethyl)-2-[[(1S)-2-mor…

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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) 2.27 3.81 -9.96 2 6 0 67 357.454 8 ↓
Mid Mid (pH 6-8) 2.27 4.91 -48.13 3 6 1 71 358.462 8 ↓
Lo Low (pH 4.5-6) 2.27 5.84 -45.89 3 6 1 68 358.462 8 ↓

Analogs

33731142
33731142
32133555
32133555
32133557
32133557

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2-[[(1R)-2-morpholino-1-(p-tolyl)ethyl]amino]acetamide N-(2-furylmethyl)-2-[[(1R)-2-mor…

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) 2.27 4.58 -9.04 2 6 0 67 357.454 8 ↓
Mid Mid (pH 6-8) 2.27 5.33 -42.04 3 6 1 71 358.462 8 ↓
Lo Low (pH 4.5-6) 2.27 6.19 -40.11 3 6 1 68 358.462 8 ↓

Parameters Provided:

ring.id = 592329
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 = 592329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=592329&filter.purchasability=annotated

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