UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16577160
16577160

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Popular Name: N-cycloheptyl-1-(2-fluorophenyl)methanesulfonamide N-cycloheptyl-1-(2-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) 3.59 5.09 -11.32 1 3 0 46 285.384 4 ↓

Analogs

36983888
36983888
16578661
16578661

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Popular Name: N-cycloheptyl-1-(m-tolyl)methanesulfonamide N-cycloheptyl-1-(m-tolyl)methane…

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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) 3.90 5.73 -10.3 1 3 0 46 281.421 4 ↓

Analogs

21798428
21798428
21802702
21802702
21816075
21816075
21817770
21817770
21817771
21817771

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Popular Name: N-cycloheptyl-1-(o-tolyl)methanesulfonamide N-cycloheptyl-1-(o-tolyl)methane…

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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) 3.88 5.71 -9.94 1 3 0 46 281.421 4 ↓

Analogs

16725887
16725887
16726661
16726661
16726662
16726662
21795873
21795873
21795877
21795877

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Popular Name: N-cycloheptyl-1-(p-tolyl)methanesulfonamide N-cycloheptyl-1-(p-tolyl)methane…

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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) 3.93 5.87 -10.53 1 3 0 46 281.421 4 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-cycloheptyl-methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-cycl…

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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) 2.64 3.09 -50.65 4 4 1 74 297.444 5 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)phenyl]-N-cycloheptyl-N-methyl-methanesulfonamide 1-[3-(aminomethyl)phenyl]-N-cycl…

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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) 2.88 5 -50 3 4 1 65 311.471 5 ↓
Hi High (pH 8-9.5) 2.88 4.6 -10.42 2 4 0 63 310.463 5 ↓

Parameters Provided:

ring.id = 166617
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 = 166617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=166617&filter.purchasability=annotated

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