UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(5-bromo-2-methoxy-phenyl)met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.26 5.15 -11.21 1 4 0 48 328.206 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.11 9.79 -14.95 0 5 0 56 323.364 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[2-[(1S)-1-[[2-[(2S)-tetrahydrofuran-2-yl]acetyl]amino]propyl]phenoxy]acetamide N,N-dimethyl-2-[2-[(1S)-1-[[2-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 8.38 -22.95 1 6 0 68 348.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[2-[(1R)-1-[[2-[(2S)-tetrahydrofuran-2-yl]acetyl]amino]propyl]phenoxy]acetamide N,N-dimethyl-2-[2-[(1R)-1-[[2-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 7.62 -23.4 1 6 0 68 348.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[2-[(1S)-1-[[2-[(2R)-tetrahydrofuran-2-yl]acetyl]amino]propyl]phenoxy]acetamide N,N-dimethyl-2-[2-[(1S)-1-[[2-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 8.28 -23.58 1 6 0 68 348.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[2-[(1R)-1-[[2-[(2R)-tetrahydrofuran-2-yl]acetyl]amino]propyl]phenoxy]acetamide N,N-dimethyl-2-[2-[(1R)-1-[[2-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.54 7.48 -23.67 1 6 0 68 348.443 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.94 9.55 -14.44 0 5 0 56 305.374 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.94 9.11 -13.76 0 5 0 56 305.374 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(1S)-1-(3-chloro-4-fluoro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.79 6.72 -12.24 1 3 0 38 285.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(1R)-1-(3-chloro-4-fluoro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.79 6.72 -12.05 1 3 0 38 285.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(1S)-1-(3-chloro-4-fluoro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.79 6.59 -12.02 1 3 0 38 285.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(1R)-1-(3-chloro-4-fluoro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.79 6.6 -12.31 1 3 0 38 285.746 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methylsulfanylphenyl)methyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(4-methylsulfanylphenyl)methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 6.36 -10.58 1 3 0 38 265.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-methylsulfanylphenyl)methyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(4-methylsulfanylphenyl)methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 6.22 -10.76 1 3 0 38 265.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(4-bromo-2-chloro-phenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.88 6.41 -9.37 1 3 0 38 332.625 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(4-bromo-2-chloro-phenyl)meth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.88 6.27 -9.81 1 3 0 38 332.625 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(3-methoxy-4-methyl-phenyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 5.38 -11 1 4 0 48 263.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(3-methoxy-4-methyl-phenyl)me…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.90 5.24 -11.04 1 4 0 48 263.337 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[methyl-[2-[(2S)-tetrahydrofuran-2-yl]acetyl]amino]methyl]benzamide 3-[[methyl-[2-[(2S)-tetrahydrofu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 4.19 -23.92 2 5 0 73 276.336 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[methyl-[2-[(2R)-tetrahydrofuran-2-yl]acetyl]amino]methyl]benzamide 3-[[methyl-[2-[(2R)-tetrahydrofu…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.50 4.07 -23.32 2 5 0 73 276.336 5 ↓

Analogs

37988774
37988774
37988775
37988775

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-nitrophenyl)methyl]-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-[(3-nitrophenyl)methyl]-2-[(2S…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 6.05 -14.35 1 6 0 84 264.281 5 ↓

Analogs

37988774
37988774
37988775
37988775

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-nitrophenyl)methyl]-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-[(3-nitrophenyl)methyl]-2-[(2R…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 5.91 -14.99 1 6 0 84 264.281 5 ↓

Parameters Provided:

ring.id = 29603
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 = 29603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=29603&filter.purchasability=annotated

Embed Link to Results