UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843132
11843132
31994589
31994589
31994592
31994592
31994826
31994826
31994827
31994827

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Popular Name: (5R)-2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (5R)-2-(cyclopropylmethyl)-9-[(4…

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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) 3.41 2.46 -110.37 2 2 2 9 304.453 4 ↓

Analogs

31994589
31994589
31994592
31994592
31994826
31994826
31994827
31994827
55041938
55041938

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Popular Name: (5S)-2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (5S)-2-(cyclopropylmethyl)-9-[(4…

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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) 3.41 2.34 -107.95 2 2 2 9 304.453 4 ↓

Analogs

11843131
11843131
11843132
11843132

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (5R)-2-(cyclopropylmethyl)-9-[(4…

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) 3.41 10.36 -37.38 1 2 1 8 303.445 4 ↓

Analogs

11843131
11843131
11843132
11843132

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(cyclopropylmethyl)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (5S)-2-(cyclopropylmethyl)-9-[(4…

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) 3.41 10.43 -36.1 1 2 1 8 303.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclopropylmethyl)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (5R)-2-(cyclopropylmethyl)-9-[(2…

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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) 3.07 10.72 -38.4 1 4 1 26 345.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-(cyclopropylmethyl)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (5S)-2-(cyclopropylmethyl)-9-[(2…

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) 3.07 10 -36.57 1 4 1 26 345.507 6 ↓

Parameters Provided:

ring.id = 60368
filter.purchasability = annotated
page.format = targets
page.num = 1
iid = 191540506
iosrcn = axeso
iosrct = affiliate

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 = 60368 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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