UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608218
43608218
43608043
43608043
43608046
43608046
43608048
43608048
43608051
43608051

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Popular Name: N-[(R)-cyclopentyl(2-furyl)methyl]ethanamine N-[(R)-cyclopentyl(2-furyl)methy…

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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) 3.10 6.35 -35.55 2 2 1 30 194.298 4 ↓

Analogs

43608043
43608043
43608046
43608046
43608048
43608048
43608051
43608051
43608214
43608214

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Popular Name: N-[(S)-cyclopentyl(2-furyl)methyl]ethanamine N-[(S)-cyclopentyl(2-furyl)methy…

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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) 3.10 6.48 -34.74 2 2 1 30 194.298 4 ↓

Analogs

43608810
43608810

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Popular Name: N-[(R)-cyclopentyl(2-furyl)methyl]propan-1-amine N-[(R)-cyclopentyl(2-furyl)methy…

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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) 3.60 7.11 -36.09 2 2 1 30 208.325 5 ↓

Analogs

43608808
43608808

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Popular Name: N-[(S)-cyclopentyl(2-furyl)methyl]propan-1-amine N-[(S)-cyclopentyl(2-furyl)methy…

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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) 3.60 7.24 -35.41 2 2 1 30 208.325 5 ↓

Analogs

43609699
43609699
43610122
43610122
49844643
49844643
49844644
49844644
49844645
49844645

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Popular Name: cyclopentyl(5-methylfuran-2-yl)methanamine cyclopentyl(5-methylfuran-2-yl)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) 0.69 4.76 -41.43 3 2 1 41 180.271 2 ↓

Analogs

43610122
43610122
49844643
49844643
49844644
49844644
49844645
49844645
43609695
43609695

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Popular Name: cyclopentyl(5-methylfuran-2-yl)methanamine cyclopentyl(5-methylfuran-2-yl)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) 0.69 4.65 -41.59 3 2 1 41 180.271 2 ↓

Analogs

19726300
19726300

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

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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) 1.75 4.46 -43.91 3 2 1 41 180.271 3 ↓

Analogs

19726299
19726299

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

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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) 1.75 4.44 -44.26 3 2 1 41 180.271 3 ↓

Analogs

19726588
19726588

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Popular Name: (2S)-2-cyclopentyl-2-(2-furyl)acetic (2S)-2-cyclopentyl-2-(2-furyl)ac…

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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) 2.19 6.51 -49.95 0 3 -1 53 193.222 3 ↓

Analogs

19726587
19726587

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Popular Name: (2R)-2-cyclopentyl-2-(2-furyl)acetic (2R)-2-cyclopentyl-2-(2-furyl)ac…

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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) 2.19 6.18 -51.13 0 3 -1 53 193.222 3 ↓

Analogs

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Popular Name: [(1R,2R)-2-(2-furfuryl)cyclopentyl]ammonium [(1R,2R)-2-(2-furfuryl)cyclopent…

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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) 1.52 4.19 -47.39 3 2 1 41 166.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-(2-furfuryl)cyclopentyl]ammonium [(1R,2S)-2-(2-furfuryl)cyclopent…

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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) 1.52 3.91 -46.1 3 2 1 41 166.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2R)-2-(2-furfuryl)cyclopentyl]ammonium [(1S,2R)-2-(2-furfuryl)cyclopent…

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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) 1.52 3.99 -47.31 3 2 1 41 166.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-(2-furfuryl)cyclopentyl]ammonium [(1S,2S)-2-(2-furfuryl)cyclopent…

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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) 1.52 4.18 -47.1 3 2 1 41 166.244 2 ↓

Parameters Provided:

ring.id = 1208
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 = 1208 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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