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Analogs

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Popular Name: 3,7-dimethyl-11-[[4-(2-methylallyloxy)phenyl]methyl]-3,7,11-triazaspiro[5.6]dodecane 3,7-dimethyl-11-[[4-(2-methylall…

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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) 3.64 11.35 -105.49 2 4 2 21 359.558 5 ↓
Hi High (pH 8-9.5) 3.64 8.92 -35.86 1 4 1 20 358.55 5 ↓
Hi High (pH 8-9.5) 3.64 9.62 -39.52 1 4 1 20 358.55 5 ↓

Analogs

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Popular Name: 2-[3-[(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methyl]phenoxy]acetamide 2-[3-[(3,7-dimethyl-3,7,11-triaz…

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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) 1.16 6.63 -106.08 4 6 2 64 362.518 5 ↓
Hi High (pH 8-9.5) 1.16 5.76 -40.42 3 6 1 63 361.51 5 ↓

Analogs

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Popular Name: 11-[(2,3-dichloro-4-methyl-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(2,3-dichloro-4-methyl-pheny…

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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) 4.05 10.69 -94.55 2 3 2 12 372.384 2 ↓
Mid Mid (pH 6-8) 4.05 9.51 -33.35 1 3 1 11 371.376 2 ↓

Analogs

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Popular Name: 11-[(3-allyl-4-allyloxy-phenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 11-[(3-allyl-4-allyloxy-phenyl)m…

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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) 3.85 12.08 -107.24 2 4 2 21 385.596 7 ↓
Hi High (pH 8-9.5) 3.85 11.21 -39.35 1 4 1 20 384.588 7 ↓
Hi High (pH 8-9.5) 3.85 9.72 -36.58 1 4 1 20 384.588 7 ↓

Parameters Provided:

ring.id = 523672
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 = 523672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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