UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(5-methyl-2-furyl)methanol (R)-[(2S)-azepan-2-yl]-(5-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) 1.79 3.74 -34.02 3 3 1 50 210.297 2 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(5-methyl-2-furyl)methanol (S)-[(2S)-azepan-2-yl]-(5-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) 1.79 3.55 -39.29 3 3 1 50 210.297 2 ↓

Analogs

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Popular Name: (R)-[(2R)-azepan-2-yl]-(5-methyl-2-furyl)methanol (R)-[(2R)-azepan-2-yl]-(5-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) 1.79 3.3 -39.2 3 3 1 50 210.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(5-methyl-2-furyl)methanol (S)-[(2R)-azepan-2-yl]-(5-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) 1.79 3.8 -33.73 3 3 1 50 210.297 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(5-bromo-2-furyl)methanol (R)-[(2S)-azepan-2-yl]-(5-bromo-…

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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) 2.50 3.65 -34.86 3 3 1 50 275.166 2 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(5-bromo-2-furyl)methanol (S)-[(2S)-azepan-2-yl]-(5-bromo-…

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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) 2.50 3.45 -41.69 3 3 1 50 275.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(5-bromo-2-furyl)methanol (R)-[(2R)-azepan-2-yl]-(5-bromo-…

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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) 2.50 3.22 -41.48 3 3 1 50 275.166 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(5-bromo-2-furyl)methanol (S)-[(2R)-azepan-2-yl]-(5-bromo-…

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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) 2.50 3.69 -34.61 3 3 1 50 275.166 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(2-furyl)methanol (R)-[(2S)-azepan-2-yl]-(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) 1.57 2.93 -34.57 3 3 1 50 196.27 2 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(2-furyl)methanol (S)-[(2S)-azepan-2-yl]-(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) 1.57 2.73 -39.08 3 3 1 50 196.27 2 ↓

Analogs

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Popular Name: (R)-[(2R)-azepan-2-yl]-(2-furyl)methanol (R)-[(2R)-azepan-2-yl]-(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) 1.57 2.49 -39.08 3 3 1 50 196.27 2 ↓

Analogs

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Popular Name: (S)-[(2R)-azepan-2-yl]-(2-furyl)methanol (S)-[(2R)-azepan-2-yl]-(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) 1.57 2.97 -34.21 3 3 1 50 196.27 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(4,5-dibromo-2-furyl)methanol (R)-[(2S)-azepan-2-yl]-(4,5-dibr…

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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) 3.24 4.26 -37.07 3 3 1 50 354.062 2 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(4,5-dibromo-2-furyl)methanol (S)-[(2S)-azepan-2-yl]-(4,5-dibr…

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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) 3.24 4.06 -43.34 3 3 1 50 354.062 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(4,5-dibromo-2-furyl)methanol (R)-[(2R)-azepan-2-yl]-(4,5-dibr…

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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) 3.24 3.82 -43.16 3 3 1 50 354.062 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(4,5-dibromo-2-furyl)methanol (S)-[(2R)-azepan-2-yl]-(4,5-dibr…

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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) 3.24 4.3 -36.75 3 3 1 50 354.062 2 ↓

Analogs

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Popular Name: (R)-[(2S)-azepan-2-yl]-(5-ethyl-2-furyl)methanol (R)-[(2S)-azepan-2-yl]-(5-ethyl-…

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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 4.52 -34.08 3 3 1 50 224.324 3 ↓

Analogs

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Popular Name: (S)-[(2S)-azepan-2-yl]-(5-ethyl-2-furyl)methanol (S)-[(2S)-azepan-2-yl]-(5-ethyl-…

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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 4.34 -39.05 3 3 1 50 224.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[(2R)-azepan-2-yl]-(5-ethyl-2-furyl)methanol (R)-[(2R)-azepan-2-yl]-(5-ethyl-…

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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 4.1 -39.1 3 3 1 50 224.324 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[(2R)-azepan-2-yl]-(5-ethyl-2-furyl)methanol (S)-[(2R)-azepan-2-yl]-(5-ethyl-…

Find On: PubMed — Wikipedia — Google

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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 4.58 -33.6 3 3 1 50 224.324 3 ↓

Parameters Provided:

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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 = 477601 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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