UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide N,N-bis[[(2S)-tetrahydrofuran-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) 1.65 7.03 -10.09 0 4 0 39 289.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide N-[[(2R)-tetrahydrofuran-2-yl]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) 1.65 7.03 -12.54 0 4 0 39 289.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-bis[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide N,N-bis[[(2R)-tetrahydrofuran-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) 1.65 7.07 -14.18 0 4 0 39 289.375 5 ↓

Analogs

42466375
42466375
42466377
42466377
42471119
42471119
42471122
42471122

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N,N-bis[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 3-methoxy-N,N-bis[[(2S)-tetrahyd…

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) 1.69 6.38 -12.36 0 5 0 48 319.401 6 ↓

Analogs

42466375
42466375
42466377
42466377
42471119
42471119
42471122
42471122

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 3-methoxy-N-[[(2R)-tetrahydrofur…

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) 1.69 6.37 -15.21 0 5 0 48 319.401 6 ↓

Analogs

42466375
42466375
42466377
42466377
42471119
42471119
42471122
42471122

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N,N-bis[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 3-methoxy-N,N-bis[[(2R)-tetrahyd…

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) 1.69 6.55 -13.46 0 5 0 48 319.401 6 ↓

Analogs

42466407
42466407
42466409
42466409
42471125
42471125
42471128
42471128

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N,N-bis[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 4-methoxy-N,N-bis[[(2S)-tetrahyd…

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) 1.71 6.33 -10.51 0 5 0 48 319.401 6 ↓

Analogs

42466407
42466407
42466409
42466409
42471125
42471125
42471128
42471128

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 4-methoxy-N-[[(2R)-tetrahydrofur…

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) 1.71 6.33 -12.83 0 5 0 48 319.401 6 ↓

Analogs

42466407
42466407
42466409
42466409
42471125
42471125
42471128
42471128

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methoxy-N,N-bis[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 4-methoxy-N,N-bis[[(2R)-tetrahyd…

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) 1.71 6.37 -13.9 0 5 0 48 319.401 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N,N-bis[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 3,4,5-trimethoxy-N,N-bis[[(2S)-t…

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) 1.28 6.38 -11.05 0 7 0 66 379.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamid 3,4,5-trimethoxy-N-[[(2R)-tetrah…

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) 1.28 6.37 -11.82 0 7 0 66 379.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4,5-trimethoxy-N,N-bis[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide 3,4,5-trimethoxy-N,N-bis[[(2R)-t…

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) 1.28 6.97 -15.68 0 7 0 66 379.453 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 4-methyl-N-[[(2R)-tetrahydrofura…

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) 2.10 7.73 -12.22 0 4 0 39 303.402 5 ↓

Analogs

42371293
42371293
42371294
42371294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzamide 4-cyano-N-[[(2R)-tetrahydrofuran…

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) 1.41 7.47 -12.85 0 5 0 63 314.385 5 ↓

Parameters Provided:

ring.id = 180416
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 = 180416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=180416&filter.purchasability=annotated

Embed Link to Results