UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31350940
31350940
31350945
31350945
1845623
1845623

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Popular Name: 2-[(2E)-2-(6-methoxytetralin-1-ylidene)ethyl]-2-methyl-cyclopentane-1,3-dione 2-[(2E)-2-(6-methoxytetralin-1-y…

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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) 2.61 9.26 -8.8 0 3 0 43 298.382 3 ↓

Analogs

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Popular Name: (2E)-2-tetralin-1-ylideneethanamine (2E)-2-tetralin-1-ylideneethanamine

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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) 1.75 5.41 -45.88 3 1 1 28 174.267 1 ↓

Analogs

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Popular Name: (2E)-2-(4,4-dimethyltetralin-1-ylidene)ethanamine (2E)-2-(4,4-dimethyltetralin-1-y…

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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) 2.48 6.22 -46.03 3 1 1 28 202.321 1 ↓

Analogs

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Popular Name: (2E)-2-(6-methoxytetralin-1-ylidene)ethanamine (2E)-2-(6-methoxytetralin-1-ylid…

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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) 1.79 4.7 -48.56 3 2 1 37 204.293 2 ↓

Analogs

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Popular Name: (3E)-3-tetralin-1-ylidenepropan-1-amine (3E)-3-tetralin-1-ylidenepropan-…

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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) 2.02 6.19 -46.5 3 1 1 28 188.294 2 ↓

Analogs

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Popular Name: (3E)-3-(4,4-dimethyltetralin-1-ylidene)propan-1-amine (3E)-3-(4,4-dimethyltetralin-1-y…

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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) 2.75 7.01 -46.46 3 1 1 28 216.348 2 ↓

Analogs

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Popular Name: (3E)-3-(6-methoxytetralin-1-ylidene)propan-1-amine (3E)-3-(6-methoxytetralin-1-ylid…

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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) 2.06 5.48 -48.8 3 2 1 37 218.32 3 ↓

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) 2.70 8.28 -8.87 0 3 0 36 260.333 4 ↓

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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) 2.70 8.33 -9.22 0 3 0 36 260.333 4 ↓

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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) 2.70 8.2 -6.92 0 3 0 36 260.333 4 ↓

Analogs

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Popular Name: (2E)-2-(7-methyltetralin-1-ylidene)acetic (2E)-2-(7-methyltetralin-1-ylide…

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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) 2.62 8.59 -51.24 0 2 -1 40 201.245 1 ↓
Mid Mid (pH 6-8) 2.62 6.56 -5.51 1 2 0 37 202.253 1 ↓

Analogs

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Popular Name: (2E)-2-(7-fluorotetralin-1-ylidene)acetic (2E)-2-(7-fluorotetralin-1-ylide…

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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) 2.34 7.99 -50.49 0 2 -1 40 205.208 1 ↓
Lo Low (pH 4.5-6) 2.34 5.95 -5.98 1 2 0 37 206.216 1 ↓

Analogs

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Popular Name: (2E)-2-(7-methoxytetralin-1-ylidene)acetic (2E)-2-(7-methoxytetralin-1-ylid…

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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) 2.23 7.21 -53.28 0 3 -1 49 217.244 2 ↓
Lo Low (pH 4.5-6) 2.23 5.18 -6.82 1 3 0 47 218.252 2 ↓

Analogs

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Popular Name: (1E)-1-allylidenetetralin (1E)-1-allylidenetetralin

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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 8.59 -2.88 0 0 0 0 170.255 1 ↓

Analogs

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Popular Name: (1E)-1-(1-phenylethylidene)tetralin (1E)-1-(1-phenylethylidene)tetralin

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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) 4.66 11.54 -3.31 0 0 0 0 234.342 1 ↓

Parameters Provided:

ring.id = 256323
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 = 256323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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