UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608233
43608233
43608054
43608054
43608057
43608057
43608061
43608061
43608064
43608064

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Popular Name: (1S)-2-cyclopentyl-N-ethyl-1-(2-furyl)ethanamine (1S)-2-cyclopentyl-N-ethyl-1-(2-…

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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) 3.37 7.34 -35.5 2 2 1 30 208.325 5 ↓

Analogs

43608054
43608054
43608057
43608057
43608061
43608061
43608064
43608064
43608229
43608229

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Popular Name: (1R)-2-cyclopentyl-N-ethyl-1-(2-furyl)ethanamine (1R)-2-cyclopentyl-N-ethyl-1-(2-…

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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) 3.37 7.16 -36.65 2 2 1 30 208.325 5 ↓

Analogs

43608817
43608817

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Popular Name: N-[(1S)-2-cyclopentyl-1-(2-furyl)ethyl]propan-1-amine N-[(1S)-2-cyclopentyl-1-(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) 3.87 8.11 -36.19 2 2 1 30 222.352 6 ↓

Analogs

43608815
43608815

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Popular Name: N-[(1R)-2-cyclopentyl-1-(2-furyl)ethyl]propan-1-amine N-[(1R)-2-cyclopentyl-1-(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) 3.87 7.91 -37.4 2 2 1 30 222.352 6 ↓

Analogs

43609711
43609711

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Popular Name: (1R)-2-cyclopentyl-1-(5-methyl-2-furyl)ethanamine (1R)-2-cyclopentyl-1-(5-methyl-2…

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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) 0.96 5.34 -43.17 3 2 1 41 194.298 3 ↓

Analogs

43609708
43609708

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Popular Name: (1S)-2-cyclopentyl-1-(5-methyl-2-furyl)ethanamine (1S)-2-cyclopentyl-1-(5-methyl-2…

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Activity (Go SEA)

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) 0.96 5.54 -42.22 3 2 1 41 194.298 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-cyclopentyl-1-(2-furyl)ethanol (1R)-2-cyclopentyl-1-(2-furyl)et…

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Activity (Go SEA)

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 4.54 -3.36 1 2 0 33 180.247 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-cyclopentyl-1-(2-furyl)ethanol (1S)-2-cyclopentyl-1-(2-furyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 4.62 -3.36 1 2 0 33 180.247 3 ↓

Parameters Provided:

ring.id = 1239
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 = 1239 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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