UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608210
43608210
43608001
43608001
43608003
43608003
43608006
43608006
43608009
43608009

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Popular Name: N-[(R)-cyclobutyl(2-furyl)methyl]ethanamine N-[(R)-cyclobutyl(2-furyl)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) 2.36 5.73 -34.87 2 2 1 30 180.271 4 ↓

Analogs

43608001
43608001
43608003
43608003
43608006
43608006
43608009
43608009
43608207
43608207

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Popular Name: N-[(S)-cyclobutyl(2-furyl)methyl]ethanamine N-[(S)-cyclobutyl(2-furyl)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) 2.36 5.73 -34.89 2 2 1 30 180.271 4 ↓

Analogs

43608807
43608807
49844588
49844588
43608647
43608647
43608650
43608650
43608653
43608653

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Popular Name: N-[(R)-cyclobutyl(2-furyl)methyl]propan-1-amine N-[(R)-cyclobutyl(2-furyl)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) 2.86 6.69 -35.15 2 2 1 30 194.298 5 ↓

Analogs

49844588
49844588
43608647
43608647
43608650
43608650
43608653
43608653
43608805
43608805

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Popular Name: N-[(S)-cyclobutyl(2-furyl)methyl]propan-1-amine N-[(S)-cyclobutyl(2-furyl)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) 2.86 6.69 -35.16 2 2 1 30 194.298 5 ↓

Analogs

43609691
43609691

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Popular Name: cyclobutyl(5-methylfuran-2-yl)methanamine cyclobutyl(5-methylfuran-2-yl)me…

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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) -0.05 4.19 -40.85 3 2 1 41 166.244 2 ↓

Analogs

43609687
43609687

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Popular Name: cyclobutyl(5-methylfuran-2-yl)methanamine cyclobutyl(5-methylfuran-2-yl)me…

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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) -0.05 4.14 -40.99 3 2 1 41 166.244 2 ↓

Analogs

19726256
19726256

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Popular Name: (2R)-2-cyclobutyl-2-(2-furyl)ethanamine (2R)-2-cyclobutyl-2-(2-furyl)eth…

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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) 1.01 4.13 -48.6 3 2 1 41 166.244 3 ↓

Analogs

19726255
19726255

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Popular Name: (2S)-2-cyclobutyl-2-(2-furyl)ethanamine (2S)-2-cyclobutyl-2-(2-furyl)eth…

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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) 1.01 3.98 -43.25 3 2 1 41 166.244 3 ↓

Analogs

19726542
19726542

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Popular Name: (2S)-2-cyclobutyl-2-(2-furyl)acetic (2S)-2-cyclobutyl-2-(2-furyl)acetic

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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) 1.45 5.67 -51.49 0 3 -1 53 179.195 3 ↓

Analogs

19726541
19726541

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Popular Name: (2R)-2-cyclobutyl-2-(2-furyl)acetic (2R)-2-cyclobutyl-2-(2-furyl)acetic

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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) 1.45 5.67 -51.5 0 3 -1 53 179.195 3 ↓

Parameters Provided:

ring.id = 1194
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 = 1194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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