UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6aS,10aR)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochromen (6aS,10aR)-6,6-dimethyl-3-[(1S)-…

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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) 7.36 12.54 -5.72 1 2 0 29 378.556 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aS,10aR)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochromen (6aS,10aR)-6,6-dimethyl-3-[(1R)-…

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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) 7.36 12.54 -5.58 1 2 0 29 378.556 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aS,10aS)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochromen (6aS,10aS)-6,6-dimethyl-3-[(1S)-…

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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) 7.36 12.6 -5.59 1 2 0 29 378.556 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aS,10aS)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochromen (6aS,10aS)-6,6-dimethyl-3-[(1R)-…

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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) 7.36 12.6 -5.51 1 2 0 29 378.556 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aR,10S,10aS)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochr (6aR,10S,10aS)-6,6-dimethyl-3-[(…

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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) 6.21 9.93 -7.77 2 3 0 50 394.555 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aR,10S,10aS)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochr (6aR,10S,10aS)-6,6-dimethyl-3-[(…

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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) 6.21 9.93 -7.67 2 3 0 50 394.555 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aR,10S,10aR)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochr (6aR,10S,10aR)-6,6-dimethyl-3-[(…

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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) 6.21 9.74 -7.52 2 3 0 50 394.555 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6aR,10S,10aR)-6,6-dimethyl-3-[(1R)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hexahydrobenzo[c]isochr (6aR,10S,10aR)-6,6-dimethyl-3-[(…

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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) 6.21 9.74 -7.47 2 3 0 50 394.555 5 ↓

Parameters Provided:

ring.id = 197100
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 = 197100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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