UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aS,6S,8aS,8bR)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aS,6S,8aS,8bR)-1,3a,5…

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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) 6.79 14.39 -5.91 0 1 0 17 362.557 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aS,6S,8aS,8bS)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aS,6S,8aS,8bS)-1,3a,5…

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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) 6.79 14.65 -6.17 0 1 0 17 362.557 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aR,6S,8aS,8bR)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aR,6S,8aS,8bR)-1,3a,5…

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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) 6.95 14.17 -5.53 0 1 0 17 380.547 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aR,6S,8aS,8bS)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aR,6S,8aS,8bS)-1,3a,5…

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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) 6.95 13.76 -4.42 0 1 0 17 380.547 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aR,6S,8aR,8bR)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aR,6S,8aR,8bR)-1,3a,5…

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) 6.95 14.55 -4.71 0 1 0 17 380.547 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,3bS,5aR,6S,8aR,8bS)-1,3a,5a-trimethyl-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]inde [(3aS,3bS,5aR,6S,8aR,8bS)-1,3a,5…

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) 6.95 14.74 -6.26 0 1 0 17 380.547 2 ↓

Parameters Provided:

ring.id = 552707
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 = 552707 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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