UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23555583
23555583
23555587
23555587

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(2,4…

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) 4.53 9.25 -12.53 2 5 0 71 431.319 7 ↓

Analogs

23555583
23555583
23555587
23555587

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(2,4…

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) 4.53 9.23 -12.21 2 5 0 71 431.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(3-c…

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) 3.90 10.19 -17.2 2 5 0 71 396.874 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(3-c…

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) 3.90 10.19 -17.72 2 5 0 71 396.874 7 ↓

Analogs

23549106
23549106

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(4-c…

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) 3.92 8.8 -11.54 2 5 0 71 396.874 7 ↓

Analogs

23549106
23549106

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(4-c…

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) 3.92 8.8 -11.24 2 5 0 71 396.874 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(4-b…

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) 4.05 8.9 -11.5 2 5 0 71 441.325 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(4-b…

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) 4.05 8.9 -11.16 2 5 0 71 441.325 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(3,4…

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) 4.53 10.65 -17.48 2 5 0 71 431.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(3,4…

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) 4.53 10.65 -17.89 2 5 0 71 431.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1S)-1-benzyl-2-[[(1S)-1-(3,4…

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) 4.53 10.65 -17.91 2 5 0 71 431.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1S)-1-benzyl-2-[[(1R)-1-(3,4…

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) 4.53 10.65 -17.47 2 5 0 71 431.319 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1S)-1-(2-b…

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) 4.00 10.22 -18.34 2 5 0 71 441.325 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide N-[(1R)-1-benzyl-2-[[(1R)-1-(2-b…

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) 4.00 10.18 -18.66 2 5 0 71 441.325 7 ↓

Parameters Provided:

ring.id = 265507
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 = 265507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=265507&filter.purchasability=annotated

Embed Link to Results