UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11844031
11844031
39638451
39638451
39638452
39638452
39683061
39683061
39683062
39683062

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Popular Name: [(5S)-7-[(2,3-dimethoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-(2-methyl-5-propyl-pyrazol-3-yl [(5S)-7-[(2,3-dimethoxyphenyl)me…

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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) 3.21 1.84 -48.97 1 7 1 61 441.596 7 ↓

Analogs

39638451
39638451
39638452
39638452
39683061
39683061
39683062
39683062
39683125
39683125

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Popular Name: [(5R)-7-[(2,3-dimethoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-(2-methyl-5-propyl-pyrazol-3-yl [(5R)-7-[(2,3-dimethoxyphenyl)me…

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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) 3.21 1.86 -53.43 1 7 1 61 441.596 7 ↓

Analogs

11844268
11844268

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Popular Name: [(5S)-9-[(4-isopropylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone [(5S)-9-[(4-isopropylphenyl)meth…

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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) 3.61 1.57 -40.26 1 5 1 43 381.544 4 ↓

Analogs

11844267
11844267

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Popular Name: [(5R)-9-[(4-isopropylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone [(5R)-9-[(4-isopropylphenyl)meth…

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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) 3.61 1.66 -53.24 1 5 1 43 381.544 4 ↓

Parameters Provided:

ring.id = 60903
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 = 60903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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