UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017076
35017076

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Popular Name: N-[(1S)-2-methyl-1-(2-thienyl)propyl]adamantan-2-amine N-[(1S)-2-methyl-1-(2-thienyl)pr…

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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) 5.47 10.32 -33.12 2 1 1 17 290.496 4 ↓

Analogs

35017074
35017074

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Popular Name: N-[(1R)-2-methyl-1-(2-thienyl)propyl]adamantan-2-amine N-[(1R)-2-methyl-1-(2-thienyl)pr…

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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) 5.47 10.34 -33.04 2 1 1 17 290.496 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]adamantan-2-amine N-[(1S)-1-(5-chloro-2-thienyl)et…

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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) 5.53 9.86 -37.12 2 1 1 17 296.887 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]adamantan-2-amine N-[(1R)-1-(5-chloro-2-thienyl)et…

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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) 5.53 9.82 -37.42 2 1 1 17 296.887 3 ↓

Analogs

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Popular Name: (3R)-3-(2-adamantylamino)-3-(2-thienyl)propanoic (3R)-3-(2-adamantylamino)-3-(2-t…

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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) 3.87 9.66 -40.9 2 3 0 57 305.443 5 ↓

Analogs

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Popular Name: (3S)-3-(2-adamantylamino)-3-(2-thienyl)propanoic (3S)-3-(2-adamantylamino)-3-(2-t…

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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) 3.87 9.86 -27.91 2 3 0 57 305.443 5 ↓

Analogs

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Popular Name: 2-(2-thienylmethylamino)adamantane-2-carbonitrile 2-(2-thienylmethylamino)adamanta…

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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) 4.02 7.51 -4.32 1 2 0 36 272.417 3 ↓
Lo Low (pH 4.5-6) 4.02 8.35 -38.86 2 2 1 40 273.425 3 ↓

Analogs

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Popular Name: 2-(2-thienylmethylamino)adamantane-2-carboxamide 2-(2-thienylmethylamino)adamanta…

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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) 2.97 4.39 -6.27 3 3 0 55 290.432 4 ↓
Mid Mid (pH 6-8) 2.97 5.24 -40.23 4 3 1 60 291.44 4 ↓

Analogs

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Popular Name: 2-(2-thienylmethylamino)adamantane-2-carboxylic 2-(2-thienylmethylamino)adamanta…

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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) 1.50 8.74 -30.85 2 3 0 57 291.416 4 ↓
Hi High (pH 8-9.5) 1.50 7.91 -44.88 1 3 -1 52 290.408 4 ↓

Analogs

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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) 4.10 7.76 -4.52 1 3 0 38 305.443 5 ↓
Mid Mid (pH 6-8) 4.10 8.95 -34.61 2 3 1 43 306.451 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-methyl-2-thienyl)ethyl]adamantan-2-amine N-[(1R)-1-(3-methyl-2-thienyl)et…

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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) 5.10 9.73 -33.49 2 1 1 17 276.469 3 ↓
Hi High (pH 8-9.5) 5.10 9.07 -1.62 1 1 0 12 275.461 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-methyl-2-thienyl)ethyl]adamantan-2-amine N-[(1S)-1-(3-methyl-2-thienyl)et…

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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) 5.10 9.76 -33.21 2 1 1 17 276.469 3 ↓
Hi High (pH 8-9.5) 5.10 9.11 -1.14 1 1 0 12 275.461 3 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-bromo-2-thienyl)ethyl]adamantan-2-amine N-[(1S)-1-(3-bromo-2-thienyl)eth…

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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) 5.46 9.76 -33.31 2 1 1 17 341.338 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-bromo-2-thienyl)ethyl]adamantan-2-amine N-[(1R)-1-(3-bromo-2-thienyl)eth…

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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) 5.46 9.7 -33.63 2 1 1 17 341.338 3 ↓

Parameters Provided:

ring.id = 14889
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 = 14889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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