UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13728702
13728702

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Popular Name: (5S,7R)-3-[(4-allyloxy-3-methoxy-phenyl)methylamino]adamantan-1-ol (5S,7R)-3-[(4-allyloxy-3-methoxy…

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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) 3.58 6.56 -46.84 3 4 1 55 344.475 7 ↓

Analogs

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Popular Name: (5S,7R)-3-[(3,5-dichloro-2-methoxy-phenyl)methylamino]adamantan-1-ol (5S,7R)-3-[(3,5-dichloro-2-metho…

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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) 4.56 6.35 -41.23 3 3 1 46 357.301 4 ↓

Analogs

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Popular Name: 3-{[4-(methylthio)benzyl]amino}-1-adamantanol 3-{[4-(methylthio)benzyl]amino}-…

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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) 3.73 6.84 -49.31 3 2 1 37 304.479 4 ↓

Analogs

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Popular Name: (5S,7R)-3-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylamino]adamantan-1-ol (5S,7R)-3-[(4-allyloxy-3-bromo-5…

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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) 4.52 7.33 -49.65 3 4 1 55 423.371 7 ↓

Analogs

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Popular Name: 2-[[[(5S,7R)-3-hydroxy-1-adamantyl]amino]methyl]benzoic 2-[[[(5S,7R)-3-hydroxy-1-adamant…

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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) 2.82 6.26 -38.88 3 4 0 77 301.386 4 ↓

Analogs

21815450
21815450
21815452
21815452
21815484
21815484
21815486
21815486
21815488
21815488

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Popular Name: N-[(4-bromophenyl)methyl]adamantan-1-amine N-[(4-bromophenyl)methyl]adamant…

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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) 5.23 9.81 -45.09 2 1 1 17 321.282 3 ↓

Analogs

21817848
21817848
21817849
21817849
21817851
21817851
21817852
21817852
34991407
34991407

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Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]adamantan-1-amine N-[(2-chloro-6-fluoro-phenyl)met…

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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 9.61 -32.52 2 1 1 17 294.821 3 ↓

Analogs

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Popular Name: 2-[(1-adamantylamino)methyl]-6-bromo-phenol 2-[(1-adamantylamino)methyl]-6-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) 4.91 7.07 -39.32 3 2 1 37 337.281 3 ↓
Hi High (pH 8-9.5) 4.91 7.91 -26.93 2 2 0 40 336.273 3 ↓

Analogs

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Popular Name: N-[(3,4-dimethylphenyl)methyl]adamantan-1-amine N-[(3,4-dimethylphenyl)methyl]ad…

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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) 5.25 10.42 -37.38 2 1 1 17 270.44 3 ↓

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]adamantan-1-amine N-[(2,5-difluorophenyl)methyl]ad…

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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) 4.68 9.28 -37.77 2 1 1 17 278.366 3 ↓

Parameters Provided:

ring.id = 40291
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 = 40291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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