UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (E)-3-[5-(1-piperidyl)-2-furyl]prop-2-en-1-amine (E)-3-[5-(1-piperidyl)-2-furyl]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) 1.68 4.48 -44.6 3 3 1 44 207.297 3 ↓
Hi High (pH 8-9.5) 1.68 4.07 -5.27 2 3 0 42 206.289 3 ↓

Analogs

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Popular Name: (E)-4-[5-(1-piperidyl)-2-furyl]but-3-en-1-amine (E)-4-[5-(1-piperidyl)-2-furyl]b…

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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) 1.95 5.25 -45.83 3 3 1 44 221.324 4 ↓
Lo Low (pH 4.5-6) 1.95 6.17 -84.12 4 3 2 45 222.332 4 ↓

Analogs

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Popular Name: 2-[(E)-[5-(1-piperidyl)-2-furyl]methyleneamino]oxyacetic 2-[(E)-[5-(1-piperidyl)-2-furyl]…

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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) 1.37 6.62 -52.29 0 6 -1 78 251.262 5 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)furan-2-carbaldehyde 5-(4-ethyl-4-methyl-1-piperidyl)…

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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 6.68 -10.56 0 3 0 33 221.3 3 ↓

Analogs

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Popular Name: 5-(4,4-diethyl-1-piperidyl)furan-2-carbaldehyde 5-(4,4-diethyl-1-piperidyl)furan…

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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) 3.44 7.16 -10.41 0 3 0 33 235.327 4 ↓

Analogs

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Popular Name: 5-(4-ethyl-4-methyl-1-piperidyl)furan-2-carboxylic 5-(4-ethyl-4-methyl-1-piperidyl)…

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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) 2.89 5.54 -57.19 0 4 -1 57 236.291 3 ↓
Lo Low (pH 4.5-6) 2.89 8.11 -52.02 1 4 0 58 237.299 3 ↓

Analogs

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Popular Name: 5-(4,4-diethyl-1-piperidyl)furan-2-carboxylic 5-(4,4-diethyl-1-piperidyl)furan…

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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) 3.22 6.02 -57.01 0 4 -1 57 250.318 4 ↓
Lo Low (pH 4.5-6) 3.22 8.58 -52.36 1 4 0 58 251.326 4 ↓

Analogs

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Popular Name: 1-[5-[(E)-4-methyl-2-nitro-pent-1-enyl]-2-furyl]piperidine 1-[5-[(E)-4-methyl-2-nitro-pent-…

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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) 4.42 9.29 -28.51 0 5 0 62 278.352 5 ↓

Analogs

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Popular Name: 5-(3,3-dimethyl-1-piperidyl)furan-2-carbaldehyde 5-(3,3-dimethyl-1-piperidyl)fura…

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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) 2.77 6.64 -10.91 0 3 0 33 207.273 2 ↓

Analogs

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Popular Name: 5-(3,3-dimethyl-1-piperidyl)furan-2-carboxylic 5-(3,3-dimethyl-1-piperidyl)fura…

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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) 2.55 5.51 -58.34 0 4 -1 57 222.264 2 ↓
Lo Low (pH 4.5-6) 2.55 7.8 -49.08 1 4 0 58 223.272 2 ↓

Parameters Provided:

ring.id = 264575
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 = 264575 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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