UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-1-cyclobutyl-2-(1-naphthyl)ethanamine (1S)-1-cyclobutyl-2-(1-naphthyl)…

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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) 3.18 8.37 -40.35 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1R)-1-cyclobutyl-2-(1-naphthyl)ethanamine (1R)-1-cyclobutyl-2-(1-naphthyl)…

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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) 3.18 8.11 -43.83 3 1 1 28 226.343 3 ↓

Analogs

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Popular Name: (1S)-1-cyclobutyl-N-methyl-2-(1-naphthyl)ethanamine (1S)-1-cyclobutyl-N-methyl-2-(1-…

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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) 4.09 9.42 -43.67 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1R)-1-cyclobutyl-N-methyl-2-(1-naphthyl)ethanamine (1R)-1-cyclobutyl-N-methyl-2-(1-…

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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) 4.09 9.67 -38.65 2 1 1 17 240.37 4 ↓

Analogs

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Popular Name: (1S)-1-cyclobutyl-N-ethyl-2-(1-naphthyl)ethanamine (1S)-1-cyclobutyl-N-ethyl-2-(1-n…

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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) 4.47 10.79 -34.07 2 1 1 17 254.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclobutyl-N-ethyl-2-(1-naphthyl)ethanamine (1R)-1-cyclobutyl-N-ethyl-2-(1-n…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.47 10.5 -37.16 2 1 1 17 254.397 5 ↓

Parameters Provided:

ring.id = 588205
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 = 588205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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