UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5-indan-5-yl-2-furyl)ethanone 1-(5-indan-5-yl-2-furyl)ethanone

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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) 3.43 8.77 -6.31 0 2 0 30 226.275 2 ↓

Analogs

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Popular Name: (1S)-1-(5-indan-5-yl-2-furyl)ethanamine (1S)-1-(5-indan-5-yl-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) 1.40 7.02 -43.12 3 2 1 41 228.315 2 ↓

Analogs

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Popular Name: (1R)-1-(5-indan-5-yl-2-furyl)ethanamine (1R)-1-(5-indan-5-yl-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) 1.40 7.02 -43.13 3 2 1 41 228.315 2 ↓

Analogs

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Popular Name: (1S)-1-(5-indan-5-yl-2-furyl)-N-methyl-ethanamine (1S)-1-(5-indan-5-yl-2-furyl)-N-…

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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) 3.65 8.7 -37.76 2 2 1 30 242.342 3 ↓

Analogs

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Popular Name: (1R)-1-(5-indan-5-yl-2-furyl)-N-methyl-ethanamine (1R)-1-(5-indan-5-yl-2-furyl)-N-…

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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) 3.65 8.71 -37.78 2 2 1 30 242.342 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-(5-indan-5-yl-2-furyl)ethanamine (1S)-N-ethyl-1-(5-indan-5-yl-2-f…

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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) 4.03 9.56 -36.56 2 2 1 30 256.369 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-(5-indan-5-yl-2-furyl)ethanamine (1R)-N-ethyl-1-(5-indan-5-yl-2-f…

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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) 4.03 9.56 -36.56 2 2 1 30 256.369 4 ↓

Analogs

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Popular Name: (1S)-1-(5-indan-5-yl-2-furyl)ethanol (1S)-1-(5-indan-5-yl-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) 3.10 6.61 -8.97 1 2 0 33 228.291 2 ↓

Analogs

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Popular Name: (1R)-1-(5-indan-5-yl-2-furyl)ethanol (1R)-1-(5-indan-5-yl-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) 3.10 6.49 -8.92 1 2 0 33 228.291 2 ↓

Analogs

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Popular Name: 1-(5-indan-5-yl-2-furyl)propan-2-one 1-(5-indan-5-yl-2-furyl)propan-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) 3.26 9.62 -12.25 0 2 0 30 240.302 3 ↓

Analogs

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Popular Name: (2S)-1-(5-indan-5-yl-2-furyl)propan-2-amine (2S)-1-(5-indan-5-yl-2-furyl)pro…

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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) 2.92 7.82 -39.54 3 2 1 41 242.342 3 ↓

Analogs

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Popular Name: (2R)-1-(5-indan-5-yl-2-furyl)propan-2-amine (2R)-1-(5-indan-5-yl-2-furyl)pro…

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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) 2.92 7.8 -42.98 3 2 1 41 242.342 3 ↓

Analogs

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Popular Name: (2S)-1-(5-indan-5-yl-2-furyl)-N-methyl-propan-2-amine (2S)-1-(5-indan-5-yl-2-furyl)-N-…

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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) 3.83 9.56 -35.17 2 2 1 30 256.369 4 ↓

Analogs

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Popular Name: (2R)-1-(5-indan-5-yl-2-furyl)-N-methyl-propan-2-amine (2R)-1-(5-indan-5-yl-2-furyl)-N-…

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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) 3.83 9.54 -38.34 2 2 1 30 256.369 4 ↓

Analogs

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Popular Name: (2S)-N-ethyl-1-(5-indan-5-yl-2-furyl)propan-2-amine (2S)-N-ethyl-1-(5-indan-5-yl-2-f…

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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) 4.20 10.41 -34.35 2 2 1 30 270.396 5 ↓

Analogs

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Popular Name: (2R)-N-ethyl-1-(5-indan-5-yl-2-furyl)propan-2-amine (2R)-N-ethyl-1-(5-indan-5-yl-2-f…

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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) 4.20 10.37 -37.16 2 2 1 30 270.396 5 ↓

Analogs

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Popular Name: (2S)-1-(5-indan-5-yl-2-furyl)propan-2-ol (2S)-1-(5-indan-5-yl-2-furyl)pro…

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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 7.19 -8.4 1 2 0 33 242.318 3 ↓

Analogs

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Popular Name: (2R)-1-(5-indan-5-yl-2-furyl)propan-2-ol (2R)-1-(5-indan-5-yl-2-furyl)pro…

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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 7.2 -6.62 1 2 0 33 242.318 3 ↓

Analogs

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Popular Name: (5-indan-5-yl-2-furyl)methanol (5-indan-5-yl-2-furyl)methanol

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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) 2.87 5.59 -8.33 1 2 0 33 214.264 2 ↓

Parameters Provided:

ring.id = 36196
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 = 36196 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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