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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4R,9aS,9bS,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4R,9aS,9bS,11aR)-4,6…

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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) 4.89 10.63 -6.25 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4R,9aR,9bS,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4R,9aR,9bS,11aR)-4,6…

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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) 4.89 10.6 -6.1 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4R,9aS,9bR,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4R,9aS,9bR,11aR)-4,6…

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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) 4.89 9.99 -6.99 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4R,9aR,9bR,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4R,9aR,9bR,11aR)-4,6…

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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) 4.89 9.97 -6.93 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4S,9aS,9bS,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4S,9aS,9bS,11aR)-4,6…

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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) 4.89 10.5 -6.13 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4S,9aR,9bS,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4S,9aR,9bS,11aR)-4,6…

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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) 4.89 10.47 -6.02 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4S,9aS,9bR,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4S,9aS,9bR,11aR)-4,6…

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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) 4.89 10.02 -6.69 0 3 0 30 357.538 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3aS,3bR,4S,9aR,9bR,11aR)-4,6,9a,11a-tetramethylspiro[2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5, (1R,3aS,3bR,4S,9aR,9bR,11aR)-4,6…

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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) 4.89 10.05 -6.72 0 3 0 30 357.538 0 ↓

Parameters Provided:

ring.id = 510651
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 = 510651 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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