UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-3-oxo-1,2,4-triphenyl-butyl]benzamide N-[(1S,2S)-3-oxo-1,2,4-triphenyl…

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) 5.75 15.61 -18.97 1 3 0 46 419.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-3-oxo-1,2,4-triphenyl-butyl]benzamide N-[(1S,2R)-3-oxo-1,2,4-triphenyl…

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) 5.75 15.66 -18.7 1 3 0 46 419.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-3-oxo-1,2,4-triphenyl-butyl]benzamide N-[(1R,2S)-3-oxo-1,2,4-triphenyl…

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) 5.75 15.59 -18.97 1 3 0 46 419.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-3-oxo-1,2,4-triphenyl-butyl]benzamide N-[(1R,2R)-3-oxo-1,2,4-triphenyl…

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) 5.75 15.61 -18.81 1 3 0 46 419.524 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide N-[(1S,2S)-2-(2-hydroxyphenyl)-3…

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) 5.22 12.85 -17.49 2 4 0 66 435.523 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide N-[(1S,2R)-2-(2-hydroxyphenyl)-3…

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) 5.22 12.9 -17.29 2 4 0 66 435.523 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide N-[(1R,2S)-2-(2-hydroxyphenyl)-3…

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) 5.22 12.83 -19.68 2 4 0 66 435.523 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide N-[(1R,2R)-2-(2-hydroxyphenyl)-3…

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) 5.22 12.85 -18.4 2 4 0 66 435.523 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1S,2S)-3-oxo-1,2,4-triphenyl-butyl]benzamide 2-hydroxy-N-[(1S,2S)-3-oxo-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) 6.24 14.15 -21.05 2 4 0 66 435.523 8 ↓
Hi High (pH 8-9.5) 6.24 15.15 -67.92 1 4 -1 69 434.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1S,2R)-3-oxo-1,2,4-triphenyl-butyl]benzamide 2-hydroxy-N-[(1S,2R)-3-oxo-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) 6.24 14.18 -20.91 2 4 0 66 435.523 8 ↓
Hi High (pH 8-9.5) 6.24 15.19 -69.8 1 4 -1 69 434.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1R,2S)-3-oxo-1,2,4-triphenyl-butyl]benzamide 2-hydroxy-N-[(1R,2S)-3-oxo-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) 6.24 14.11 -20.33 2 4 0 66 435.523 8 ↓
Hi High (pH 8-9.5) 6.24 15.12 -69.74 1 4 -1 69 434.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1R,2R)-3-oxo-1,2,4-triphenyl-butyl]benzamide 2-hydroxy-N-[(1R,2R)-3-oxo-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) 6.24 14.15 -20.48 2 4 0 66 435.523 8 ↓
Hi High (pH 8-9.5) 6.24 15.15 -67.81 1 4 -1 69 434.515 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1S,2S)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide 2-hydroxy-N-[(1S,2S)-2-(2-hydrox…

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) 5.71 11.39 -19.37 3 5 0 87 451.522 8 ↓
Hi High (pH 8-9.5) 5.71 12.4 -67.01 2 5 -1 89 450.514 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1S,2R)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide 2-hydroxy-N-[(1S,2R)-2-(2-hydrox…

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) 5.71 11.42 -19.36 3 5 0 87 451.522 8 ↓
Hi High (pH 8-9.5) 5.71 12.43 -67.86 2 5 -1 89 450.514 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1R,2S)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide 2-hydroxy-N-[(1R,2S)-2-(2-hydrox…

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) 5.71 11.36 -21.12 3 5 0 87 451.522 8 ↓
Hi High (pH 8-9.5) 5.71 12.37 -70.7 2 5 -1 89 450.514 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-N-[(1R,2R)-2-(2-hydroxyphenyl)-3-oxo-1,4-diphenyl-butyl]benzamide 2-hydroxy-N-[(1R,2R)-2-(2-hydrox…

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) 5.71 11.39 -20.17 3 5 0 87 451.522 8 ↓
Hi High (pH 8-9.5) 5.71 12.4 -66.17 2 5 -1 89 450.514 8 ↓

Parameters Provided:

ring.id = 606289
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 = 606289 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=606289&filter.purchasability=annotated

Embed Link to Results