UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(1S)-1-(1-methylcyclopropyl)ethyl]adamantan-2-amine N-[(1S)-1-(1-methylcyclopropyl)e…

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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 9.3 -32.95 2 1 1 17 234.407 3 ↓

Analogs

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Popular Name: N-[(1R)-1-(1-methylcyclopropyl)ethyl]adamantan-2-amine N-[(1R)-1-(1-methylcyclopropyl)e…

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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 9.29 -32.93 2 1 1 17 234.407 3 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)adamantane-2-carbonitrile 2-(cyclopropylmethylamino)adaman…

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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 6.94 -3.89 1 2 0 36 230.355 3 ↓
Mid Mid (pH 6-8) 3.59 7.78 -41.2 2 2 1 40 231.363 3 ↓

Analogs

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Popular Name: 2-(cyclopropylmethylamino)adamantane-2-carboxylic 2-(cyclopropylmethylamino)adaman…

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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) 1.08 8.17 -30.41 2 3 0 57 249.354 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) 3.67 8.39 -36.04 2 3 1 43 264.389 5 ↓
Hi High (pH 8-9.5) 3.67 7.22 -4.1 1 3 0 38 263.381 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.05 9.32 -35.47 2 3 1 43 278.416 6 ↓
Mid Mid (pH 6-8) 4.05 8.15 -4.01 1 3 0 38 277.408 6 ↓

Parameters Provided:

ring.id = 131182
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 = 131182 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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