UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017664
35017664

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Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahyd N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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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) -0.43 5.37 -78.43 2 11 0 136 500.531 5 ↓
Hi High (pH 8-9.5) -0.43 4.81 -60.91 1 11 -1 134 499.523 5 ↓
Mid Mid (pH 6-8) -0.43 4.76 -62.01 3 11 0 133 501.539 5 ↓

Analogs

35017662
35017662

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Popular Name: N-[(2Z,10S)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahyd N-[(2Z,10S)-2-[[(4-fluorophenyl)…

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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) -0.43 5.43 -71.33 2 11 0 136 500.531 5 ↓
Hi High (pH 8-9.5) -0.43 3.19 -52.13 1 11 -1 134 499.523 5 ↓
Mid Mid (pH 6-8) -0.43 8.38 -62.23 3 11 1 137 501.539 5 ↓

Parameters Provided:

ring.id = 15075
filter.purchasability = annotated
page.format = targets
page.num = 1
iocnl3 = legacy
iocnl1 = google_adsense
iosrcn = adwords
iosrct = adnet

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 = 15075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15075&filter.purchasability=annotated

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