UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 2.74 2.37 -21.39 0 8 0 90 405.838 7 ↓

Analogs

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Popular Name: (2-methyl-1-piperidyl)carbonylmethyl (2-methyl-1-piperidyl)carbonylme…

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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) 3.34 1.27 -15.49 0 6 0 63 361.829 5 ↓

Analogs

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Popular Name: (2-methyl-1-piperidyl)carbonylmethyl (2-methyl-1-piperidyl)carbonylme…

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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) 3.34 1.26 -15.47 0 6 0 63 361.829 5 ↓

Analogs

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Popular Name: (2-ethyl-1-piperidyl)carbonylmethyl (2-ethyl-1-piperidyl)carbonylmethyl

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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) 3.88 1.45 -15.43 0 6 0 63 375.856 6 ↓

Analogs

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Popular Name: (2-ethyl-1-piperidyl)carbonylmethyl (2-ethyl-1-piperidyl)carbonylmethyl

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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) 3.88 1.46 -15.55 0 6 0 63 375.856 6 ↓

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) 3.11 2.34 -21.11 0 8 0 90 419.865 8 ↓

Analogs

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Popular Name: (4-carbamoyl-1-piperidyl)carbonylmethyl (4-carbamoyl-1-piperidyl)carbony…

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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) 1.61 -1.61 -25.19 2 8 0 107 390.827 6 ↓

Analogs

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Popular Name: (3-methyl-1-piperidyl)carbonylmethyl (3-methyl-1-piperidyl)carbonylme…

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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) 3.25 1.51 -16.39 0 6 0 63 361.829 5 ↓

Analogs

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Popular Name: (3-methyl-1-piperidyl)carbonylmethyl (3-methyl-1-piperidyl)carbonylme…

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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) 3.25 1.49 -16.3 0 6 0 63 361.829 5 ↓

Analogs

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Popular Name: (4-methyl-1-piperidyl)carbonylmethyl (4-methyl-1-piperidyl)carbonylme…

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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) 3.25 1.54 -16.32 0 6 0 63 361.829 5 ↓

Analogs

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Popular Name: 1-piperidylcarbonylmethyl 1-piperidylcarbonylmethyl

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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) 3.01 1.18 -16.39 0 6 0 63 347.802 5 ↓

Analogs

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Popular Name: (2,6-dimethyl-1-piperidyl)carbonylmethyl (2,6-dimethyl-1-piperidyl)carbon…

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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) 3.67 1.74 -15.16 0 6 0 63 375.856 5 ↓

Analogs

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Popular Name: (2,6-dimethyl-1-piperidyl)carbonylmethyl (2,6-dimethyl-1-piperidyl)carbon…

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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) 3.67 1.74 -15.12 0 6 0 63 375.856 5 ↓

Parameters Provided:

ring.id = 1508
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 = 1508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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