UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12038982
12038982

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Popular Name: 3-acetamido-N-[[(2S)-7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 3-acetamido-N-[[(2S)-7-(5-acetyl…

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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) 2.28 -3.12 -23.26 2 6 0 85 404.463 7 ↓

Analogs

12038979
12038979

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Popular Name: 3-acetamido-N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 3-acetamido-N-[[(2R)-7-(5-acetyl…

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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) 2.28 -3.05 -21.54 2 6 0 85 404.463 7 ↓

Analogs

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Popular Name: 5-[(2S)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N-methyl-thiophene-2-carboxamide 5-[(2S)-2-(aminomethyl)-2,3-dihy…

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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) 1.74 3.66 -53.58 4 4 1 66 289.38 3 ↓
Hi High (pH 8-9.5) 1.74 3.28 -9.89 3 4 0 64 288.372 3 ↓

Analogs

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Popular Name: 5-[(2R)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-N-methyl-thiophene-2-carboxamide 5-[(2R)-2-(aminomethyl)-2,3-dihy…

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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) 1.74 3.71 -53.08 4 4 1 66 289.38 3 ↓
Hi High (pH 8-9.5) 1.74 3.27 -10.98 3 4 0 64 288.372 3 ↓

Analogs

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Popular Name: 1-[5-[(2S)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-2-thienyl]propan-1-one 1-[5-[(2S)-2-(aminomethyl)-2,3-d…

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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) 2.95 6.81 -52.21 3 3 1 54 288.392 4 ↓
Hi High (pH 8-9.5) 2.95 6.43 -8.03 2 3 0 52 287.384 4 ↓

Analogs

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Popular Name: 1-[5-[(2R)-2-(aminomethyl)-2,3-dihydrobenzofuran-7-yl]-2-thienyl]propan-1-one 1-[5-[(2R)-2-(aminomethyl)-2,3-d…

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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) 2.95 6.83 -51.73 3 3 1 54 288.392 4 ↓
Hi High (pH 8-9.5) 2.95 6.4 -9.12 2 3 0 52 287.384 4 ↓

Analogs

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Popular Name: 5-[(2S)-2-(aminomethyl)-5-chloro-2,3-dihydrobenzofuran-7-yl]thiophene-2-sulfonamide 5-[(2S)-2-(aminomethyl)-5-chloro…

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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) 1.92 0.83 -53.46 5 5 1 97 345.853 3 ↓
Hi High (pH 8-9.5) 1.92 0.41 -13.24 4 5 0 95 344.845 3 ↓

Analogs

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Popular Name: 5-[(2R)-2-(aminomethyl)-5-chloro-2,3-dihydrobenzofuran-7-yl]thiophene-2-sulfonamide 5-[(2R)-2-(aminomethyl)-5-chloro…

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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) 1.92 0.86 -53.1 5 5 1 97 345.853 3 ↓
Hi High (pH 8-9.5) 1.92 0.48 -11.88 4 5 0 95 344.845 3 ↓

Analogs

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Popular Name: [(2S)-5-methyl-7-(2-thienyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2S)-5-methyl-7-(2-thienyl)-2,3…

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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) 2.71 5.98 -45.47 3 2 1 37 246.355 2 ↓
Hi High (pH 8-9.5) 2.71 5.56 -7.57 2 2 0 35 245.347 2 ↓

Analogs

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Popular Name: [(2R)-5-methyl-7-(2-thienyl)-2,3-dihydrobenzofuran-2-yl]methanamine [(2R)-5-methyl-7-(2-thienyl)-2,3…

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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) 2.71 6.01 -45.04 3 2 1 37 246.355 2 ↓
Hi High (pH 8-9.5) 2.71 5.63 -6.16 2 2 0 35 245.347 2 ↓

Parameters Provided:

ring.id = 84769
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 = 84769 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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