UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R,5aS,10aS)-4-methyl-1'-prop-2-ynyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3,3'-indoline (3R,5aS,10aS)-4-methyl-1'-prop-2…

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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) 4.23 11.99 -9.59 0 3 0 30 355.437 1 ↓

Analogs

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Popular Name: (3R,5aR,10aS)-4-methyl-1'-prop-2-ynyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3,3'-indoline (3R,5aR,10aS)-4-methyl-1'-prop-2…

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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) 4.23 11.73 -10.9 0 3 0 30 355.437 1 ↓

Analogs

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Popular Name: (3R,5aS,10aR)-4-methyl-1'-prop-2-ynyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3,3'-indoline (3R,5aS,10aR)-4-methyl-1'-prop-2…

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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) 4.23 12.09 -11.59 0 3 0 30 355.437 1 ↓

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) 4.31 13.11 -12.87 0 5 0 56 403.478 4 ↓

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) 4.31 12.79 -11.81 0 5 0 56 403.478 4 ↓

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) 4.31 12.66 -14.01 0 5 0 56 403.478 4 ↓

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) 4.31 13.25 -12.72 0 5 0 56 403.478 4 ↓

Analogs

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Popular Name: (3R,5aS,10aS)-1'-[(4-bromophenyl)methyl]-4-methyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3 (3R,5aS,10aS)-1'-[(4-bromophenyl…

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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) 6.28 15.01 -8.13 0 3 0 30 486.409 2 ↓

Analogs

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Popular Name: (3R,5aR,10aS)-1'-[(4-bromophenyl)methyl]-4-methyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3 (3R,5aR,10aS)-1'-[(4-bromophenyl…

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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) 6.28 14.77 -10.41 0 3 0 30 486.409 2 ↓

Analogs

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Popular Name: (3R,5aS,10aR)-1'-[(4-bromophenyl)methyl]-4-methyl-spiro[1,5a,10,10a-tetrahydroindeno[2,1-c]oxepine-3 (3R,5aS,10aR)-1'-[(4-bromophenyl…

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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) 6.28 15.16 -11.03 0 3 0 30 486.409 2 ↓

Parameters Provided:

ring.id = 471934
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 = 471934 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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