UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40767374
40767374
14979243
14979243
14979246
14979246

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Popular Name: N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(1S,3R)-4-methyl-1-oxo-1,4-thiazinan-3-yl]-6-oxo-py N-[(4-fluorophenyl)methyl]-5-hyd…

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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) -0.60 2.28 -17.91 2 8 0 105 408.455 4 ↓
Mid Mid (pH 6-8) -0.60 3.17 -60.78 1 8 -1 107 407.447 4 ↓
Lo Low (pH 4.5-6) -0.60 4.45 -58.22 3 8 1 106 409.463 4 ↓

Analogs

40767371
40767371
14979243
14979243

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[(1R,3R)-4-methyl-1-oxo-1,4-thiazinan-3-yl]-6-oxo-py N-[(4-fluorophenyl)methyl]-5-hyd…

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) -0.60 2.28 -24.89 2 8 0 105 408.455 4 ↓
Mid Mid (pH 6-8) -0.60 3.17 -67.78 1 8 -1 107 407.447 4 ↓
Lo Low (pH 4.5-6) -0.60 4.45 -71.19 3 8 1 106 409.463 4 ↓

Parameters Provided:

ring.id = 516795
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 = 516795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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