UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

51483975
51483975
22874853
22874853
22874846
22874846

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Popular Name: N-[(1S,2R)-2-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclohexyl]benzamide N-[(1S,2R)-2-[2-(4-sulfamoylphen…

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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) 2.51 4.93 -25.16 4 7 0 118 429.542 7 ↓

Analogs

26979258
26979258
26979250
26979250
26979242
26979242

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Popular Name: N-[(1S,2R)-2-[2-(2-chlorophenyl)ethylcarbamoyl]cyclohexyl]benzamide N-[(1S,2R)-2-[2-(2-chlorophenyl)…

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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) 4.44 10.38 -17.97 2 4 0 58 384.907 6 ↓

Analogs

43352265
43352265
43352268
43352268
43352494
43352494
43352497
43352497
13782774
13782774

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Popular Name: methyl methyl

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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) 3.66 11.17 -18.27 2 6 0 85 408.498 8 ↓

Parameters Provided:

ring.id = 603974
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 = 603974 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=603974&filter.purchasability=annotated

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