UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12217327
12217327

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Popular Name: 1-[[(3R)-1-(3,3-dimethylbutanoyl)-3-piperidyl]methyl]-N,N-diethyl-triazole-4-carboxamide 1-[[(3R)-1-(3,3-dimethylbutanoyl…

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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) 2.38 2.51 -13.4 0 7 0 71 363.506 7 ↓

Analogs

12217326
12217326

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Popular Name: 1-[[(3S)-1-(3,3-dimethylbutanoyl)-3-piperidyl]methyl]-N,N-diethyl-triazole-4-carboxamide 1-[[(3S)-1-(3,3-dimethylbutanoyl…

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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) 2.38 2.22 -12.26 0 7 0 71 363.506 7 ↓

Analogs

23369520
23369520

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Popular Name: 3-[1-[[(3S)-1-methylsulfonyl-3-piperidyl]methyl]triazol-4-yl]pentan-3-amine 3-[1-[[(3S)-1-methylsulfonyl-3-p…

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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) 1.47 2.33 -63.96 3 7 1 96 330.478 6 ↓

Analogs

23369516
23369516

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Popular Name: 3-[1-[[(3R)-1-methylsulfonyl-3-piperidyl]methyl]triazol-4-yl]pentan-3-amine 3-[1-[[(3R)-1-methylsulfonyl-3-p…

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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) 1.47 2.14 -59.1 3 7 1 96 330.478 6 ↓

Analogs

52222766
52222766
52222768
52222768

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Popular Name: [1-[[(3S)-1-pentyl-3-piperidyl]methyl]triazol-4-yl]methanol [1-[[(3S)-1-pentyl-3-piperidyl]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) 2.18 5.27 -44.92 2 5 1 55 267.397 7 ↓

Analogs

52222766
52222766
52222768
52222768

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Popular Name: [1-[[(3R)-1-pentyl-3-piperidyl]methyl]triazol-4-yl]methanol [1-[[(3R)-1-pentyl-3-piperidyl]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) 2.18 5.39 -44.82 2 5 1 55 267.397 7 ↓

Analogs

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Popular Name: ethyl 1-(4-methoxybenzyl)-4-piperidinecarboxylate ethyl 1-(4-methoxybenzyl)-4-pipe…

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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) 1.31 6.4 -49.66 2 6 1 68 292.407 6 ↓

Analogs

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Popular Name: methyl 2-methyl-4-{[4-(2-methylphenyl)-1-piperazinyl]methyl}phenyl ether methyl 2-methyl-4-{[4-(2-methylp…

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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) 1.31 6.3 -49.73 2 6 1 68 292.407 6 ↓

Analogs

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Popular Name: N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-3-piperidyl]methyl]triazole-4-carboxamide N-[2-[methyl(methylsulfonyl)amin…

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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) -1.10 -0.18 -60.04 3 9 1 114 345.449 7 ↓

Analogs

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Popular Name: N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3S)-3-piperidyl]methyl]triazole-4-carboxamide N-[2-[methyl(methylsulfonyl)amin…

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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) -1.10 -0.28 -59.97 3 9 1 114 345.449 7 ↓

Parameters Provided:

ring.id = 91259
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 = 91259 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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