UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-adamantyl)-N-methyl-3-(methylsulfonylmethyl)benzamide N-(2-adamantyl)-N-methyl-3-(meth…

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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) 3.02 7.67 -21.33 0 4 0 54 361.507 4 ↓

Analogs

13959839
13959839
13959840
13959840

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Popular Name: N-(2-adamantyl)-5-bromo-2-(difluoromethoxy)benzamide N-(2-adamantyl)-5-bromo-2-(diflu…

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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) 5.80 0.57 -8.43 1 3 0 38 400.263 4 ↓

Analogs

6236890
6236890
6435977
6435977
6435979
6435979
6435981
6435981
6435982
6435982

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Popular Name: N-(2-adamantyl)-4-(difluoromethoxy)-3-methoxy-benzamide N-(2-adamantyl)-4-(difluorometho…

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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) 4.11 0.98 -10.24 1 4 0 47 351.393 5 ↓

Analogs

6286928
6286928
6286931
6286931

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Popular Name: N-(2-adamantyl)-4-ethyl-benzamide N-(2-adamantyl)-4-ethyl-benzamide

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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) 4.82 9.89 -7.75 1 2 0 29 283.415 3 ↓

Analogs

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Popular Name: N-(2-adamantyl)-3,5-dichloro-4-methoxy-benzamide N-(2-adamantyl)-3,5-dichloro-4-m…

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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) 5.17 8.98 -6.42 1 3 0 38 354.277 3 ↓

Analogs

4843022
4843022
4843021
4843021

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Popular Name: N-(2-adamantyl)-4-cyano-2-fluoro-benzamide N-(2-adamantyl)-4-cyano-2-fluoro…

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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) 3.75 8.91 -12.91 1 3 0 53 298.361 2 ↓

Analogs

4727701
4727701

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Popular Name: N-(2-adamantyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide N-(2-adamantyl)-2,3,5,6-tetraflu…

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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) 4.33 7.92 -6.54 1 3 0 38 357.347 3 ↓

Analogs

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Popular Name: N-(2-adamantyl)-2-amino-4-fluoro-benzamide N-(2-adamantyl)-2-amino-4-fluoro…

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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) 3.48 6.73 -5.81 3 3 0 55 288.366 2 ↓

Analogs

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Popular Name: N-(2-adamantyl)-4-amino-3-fluoro-benzamide N-(2-adamantyl)-4-amino-3-fluoro…

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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) 3.48 6.43 -7.21 3 3 0 55 288.366 2 ↓

Analogs

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Popular Name: N-(2-adamantyl)-2-(methylamino)benzamide N-(2-adamantyl)-2-(methylamino)b…

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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) 3.71 7.62 -6.73 2 3 0 41 284.403 3 ↓

Parameters Provided:

ring.id = 109936
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 = 109936 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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