UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44194841
44194841
44194844
44194844
44194847
44194847
44194850
44194850
4829710
4829710

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,6R,7S,7aR)-6-methoxy-2,2-dimethyl-7-(2,4,6-trimethylphenoxy)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxo (3aR,6R,7S,7aR)-6-methoxy-2,2-di…

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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 7.72 -5.88 0 5 0 46 322.401 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4R,6R,7aS)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl] [(3aS,4R,6R,7aS)-2,2,6-trimethyl…

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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) 3.16 7.51 -8.51 0 5 0 54 292.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4R,6S,7aS)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl] [(3aS,4R,6S,7aS)-2,2,6-trimethyl…

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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) 3.16 7.54 -10.56 0 5 0 54 292.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4R,6R,7aR)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl] [(3aS,4R,6R,7aR)-2,2,6-trimethyl…

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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) 3.16 7.27 -8.86 0 5 0 54 292.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(3aS,4R,6S,7aR)-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl] [(3aS,4R,6S,7aR)-2,2,6-trimethyl…

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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) 3.16 7.38 -8.82 0 5 0 54 292.331 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R,3S,5R,8S)-3-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]diox [(1S,2R,3S,5R,8S)-3-[[(3aR,4R,6S…

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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) 0.81 5.52 -10.54 0 11 0 117 446.449 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6S,7S,7aR)-6-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dim (3aS,4R,6S,7S,7aR)-6-[(R)-[(4S,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) 1.97 5.03 -9.7 1 13 0 131 580.668 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,4R,6S,7S,7aR)-6-[(R)-[(4S,5R)-5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R)-2,2-dim (3aS,4R,6S,7S,7aR)-6-[(R)-[(4S,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) 0.57 0.84 -12.43 2 12 0 133 508.561 8 ↓

Parameters Provided:

ring.id = 53231
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 = 53231 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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