UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814238
11814238

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Popular Name: N-[[(3S)-8-[(4-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3-carb N-[[(3S)-8-[(4-chlorophenyl)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) 2.76 -1.48 -49.04 2 6 1 61 403.934 5 ↓

Analogs

11814236
11814236

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Popular Name: N-[[(3R)-8-[(4-chlorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3-carb N-[[(3R)-8-[(4-chlorophenyl)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) 2.76 -1.44 -49.85 2 6 1 61 403.934 5 ↓

Analogs

11973768
11973768
11970462
11970462
11970468
11970468

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Popular Name: 1-methyl-N-[[(2S)-8-(p-tolylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide 1-methyl-N-[[(2S)-8-(p-tolylmeth…

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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) 2.53 -1.01 -44.56 2 6 1 61 383.516 5 ↓

Analogs

11970462
11970462
11970468
11970468

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Popular Name: 1-methyl-N-[[(2R)-8-(p-tolylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide 1-methyl-N-[[(2R)-8-(p-tolylmeth…

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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) 2.53 -0.94 -42.31 2 6 1 61 383.516 5 ↓

Analogs

11977930
11977930

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Popular Name: N-[[(2S)-8-[(4-isopropylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1-methyl-pyrazole-3-c N-[[(2S)-8-[(4-isopropylphenyl)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) 3.59 -0.53 -44.53 2 6 1 61 411.57 6 ↓

Analogs

11977922
11977922

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Popular Name: N-[[(2R)-8-[(4-isopropylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1-methyl-pyrazole-3-c N-[[(2R)-8-[(4-isopropylphenyl)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) 3.59 -0.49 -45.29 2 6 1 61 411.57 6 ↓

Analogs

11979809
11979809

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Popular Name: N-[[(3S)-8-[(2,6-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3 N-[[(3S)-8-[(2,6-dimethoxyphenyl…

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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) 2.10 -0.93 -37.02 2 8 1 79 429.541 7 ↓

Analogs

11979796
11979796

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Popular Name: N-[[(3R)-8-[(2,6-dimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3 N-[[(3R)-8-[(2,6-dimethoxyphenyl…

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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) 2.10 -0.95 -36.12 2 8 1 79 429.541 7 ↓

Analogs

11995544
11995544

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Popular Name: N-[[(3S)-8-[(2,4-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3- N-[[(3S)-8-[(2,4-difluorophenyl)…

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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) 2.34 -0.11 -49.51 2 6 1 61 405.469 5 ↓

Analogs

11995543
11995543

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Popular Name: N-[[(3R)-8-[(2,4-difluorophenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyrazole-3- N-[[(3R)-8-[(2,4-difluorophenyl)…

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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) 2.34 -0.05 -46.45 2 6 1 61 405.469 5 ↓

Analogs

11995854
11995854

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Popular Name: 1-methyl-N-[[(2S)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole- 1-methyl-N-[[(2S)-8-[(2,4,5-trim…

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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) 3.28 -0.25 -43.64 2 6 1 61 411.57 5 ↓

Analogs

11995853
11995853

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Popular Name: 1-methyl-N-[[(2R)-8-[(2,4,5-trimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole- 1-methyl-N-[[(2R)-8-[(2,4,5-trim…

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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) 3.28 -0.18 -41.47 2 6 1 61 411.57 5 ↓

Analogs

11995875
11995875

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Popular Name: N-[[(3S)-8-[(2-fluoro-5-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyra N-[[(3S)-8-[(2-fluoro-5-methoxy-…

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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) 2.23 -0.84 -44.57 2 7 1 70 417.505 6 ↓

Analogs

11995874
11995874

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Popular Name: N-[[(3R)-8-[(2-fluoro-5-methoxy-phenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]-1-methyl-pyra N-[[(3R)-8-[(2-fluoro-5-methoxy-…

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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) 2.23 -0.77 -41.91 2 7 1 70 417.505 6 ↓

Analogs

12038511
12038511

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Popular Name: 1-methyl-N-[[(3S)-8-[(3,4,5-trimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole 1-methyl-N-[[(3S)-8-[(3,4,5-trim…

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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) 1.71 -0.47 -54.23 2 9 1 88 459.567 8 ↓

Analogs

12038504
12038504

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Popular Name: 1-methyl-N-[[(3R)-8-[(3,4,5-trimethoxyphenyl)methyl]-4-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrazole 1-methyl-N-[[(3R)-8-[(3,4,5-trim…

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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) 1.71 -0.39 -52.85 2 9 1 88 459.567 8 ↓

Parameters Provided:

ring.id = 47234
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 = 47234 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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