UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16678737
16678737

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Popular Name: tert-butyl tert-butyl

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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) 2.60 7.4 -45.72 2 4 1 46 269.409 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-N,1-dimethyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 0.68 3.16 -30.74 3 3 1 34 226.388 4 ↓
Hi High (pH 8-9.5) 0.68 3.66 -32.9 3 3 1 34 226.388 4 ↓
Mid Mid (pH 6-8) 0.68 4 -103.11 4 3 2 35 227.396 4 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 1.35 4.39 -28.55 3 3 1 34 254.442 5 ↓
Hi High (pH 8-9.5) 1.35 4.85 -30.11 3 3 1 34 254.442 5 ↓
Mid Mid (pH 6-8) 1.35 5.19 -103.42 4 3 2 35 255.45 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-1-ethyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 1.06 3.82 -28.54 3 3 1 34 240.415 5 ↓
Hi High (pH 8-9.5) 1.06 4.33 -31.69 3 3 1 34 240.415 5 ↓
Mid Mid (pH 6-8) 1.06 4.67 -103.82 4 3 2 35 241.423 5 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propyl-piperidin-4-amine 4-(aminomethyl)-N-(cyclobutylmet…

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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) 1.56 5.41 -105.36 4 3 2 35 255.45 6 ↓
Hi High (pH 8-9.5) 1.56 5.07 -32.25 3 3 1 34 254.442 6 ↓
Lo Low (pH 4.5-6) 1.56 7.26 -219.75 5 3 3 37 256.458 6 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-N-methyl-piperidin-4-amine N-(cyclobutylmethyl)-N-methyl-pi…

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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) 1.21 6.08 -100.11 3 2 2 21 184.327 3 ↓
Mid Mid (pH 6-8) 1.21 3.79 -37.18 2 2 1 20 183.319 3 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-propyl-piperidin-4-amine N-(cyclobutylmethyl)-1-propyl-pi…

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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) 2.44 6.78 -32.04 2 2 1 16 211.373 5 ↓
Mid Mid (pH 6-8) 2.44 5.74 -36.88 2 2 1 20 211.373 5 ↓
Lo Low (pH 4.5-6) 2.44 7.97 -102.7 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-ethyl-piperidin-4-amine N-(cyclobutylmethyl)-1-ethyl-pip…

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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) 1.94 4.99 -36.78 2 2 1 20 197.346 4 ↓
Lo Low (pH 4.5-6) 1.94 7.22 -100.94 3 2 2 21 198.354 4 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-isopropyl-piperidin-4-amine N-(cyclobutylmethyl)-1-isopropyl…

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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 5.54 -36.74 2 2 1 20 211.373 4 ↓
Lo Low (pH 4.5-6) 2.23 7.74 -100.84 3 2 2 21 212.381 4 ↓

Analogs

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Popular Name: N-(cyclobutylmethyl)-1-methyl-piperidin-4-amine N-(cyclobutylmethyl)-1-methyl-pi…

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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) 1.56 5.37 -32.43 2 2 1 16 183.319 3 ↓
Mid Mid (pH 6-8) 1.56 4.18 -36.91 2 2 1 20 183.319 3 ↓
Lo Low (pH 4.5-6) 1.56 6.56 -100.55 3 2 2 21 184.327 3 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.01 6.31 -47.22 2 4 1 46 241.355 5 ↓

Analogs

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Popular Name: 1-[4-(cyclobutylmethylamino)-1-piperidyl]ethanone 1-[4-(cyclobutylmethylamino)-1-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) 0.92 5.55 -48.41 2 3 1 37 211.329 3 ↓

Parameters Provided:

ring.id = 122441
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 = 122441 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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