UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4891534
4891534

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(3-phenyl-1,4-diazaspiro[4.4]…

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) 4.86 -4.68 -9.77 1 4 0 53 377.513 5 ↓

Analogs

4891517
4891517
9599163
9599163

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide N-(4-chlorophenyl)-2-[(2-phenyl-…

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) 5.09 -5.15 -9.61 1 4 0 53 397.931 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 4.72 8.04 -10.42 1 6 0 80 421.522 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(3-methoxyphenyl)-acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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) 4.61 6.4 -9.53 1 5 0 63 411.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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) 5.03 -3.95 -8.84 1 4 0 53 395.503 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

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) 5.00 -3.93 -8.71 1 4 0 53 395.503 5 ↓

Analogs

4891469
4891469

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

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) 4.47 6.32 -10.84 1 5 0 63 393.512 6 ↓

Analogs

4891449
4891449

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

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) 4.58 -4.26 -10.12 1 4 0 53 381.476 5 ↓

Analogs

9599158
9599158

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)-acetamide 2-[[2-(4-chlorophenyl)-1,4-diaza…

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) 5.26 -4.42 -9.04 1 4 0 53 415.921 5 ↓

Analogs

6818766
6818766

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(3-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(3-fluo…

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) 4.72 -3.52 -10.43 1 4 0 53 399.466 5 ↓

Analogs

9599163
9599163
9599197
9599197

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-phenyl-acetamide 2-[[3-(4-chlorophenyl)-1,4-diaza…

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) 5.09 -5.16 -8.55 1 4 0 53 397.931 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[[2-(3-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide N-(4-chlorophenyl)-2-[[2-(3-fluo…

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) 5.23 -4.41 -9.87 1 4 0 53 415.921 5 ↓

Analogs

9599173
9599173
9599353
9599353

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide N-(3-chloro-4-fluoro-phenyl)-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) 5.18 -4.42 -11.86 1 4 0 53 415.921 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide N-(3,5-dimethoxyphenyl)-2-[(3-ph…

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) 4.46 5.63 -12.6 1 6 0 72 423.538 7 ↓

Analogs

4891495
4891495

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide N-(3,4-dimethylphenyl)-2-[(3-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) 5.24 -4.38 -9.84 1 4 0 53 391.54 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(3-fluorophenyl)-acetamide 2-[[3-(4-chlorophenyl)-1,4-diaza…

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) 5.23 -4.42 -10.73 1 4 0 53 415.921 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-butoxyphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione 3-(4-butoxyphenyl)-1,4-diazaspir…

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) 4.90 6.83 -6.15 1 3 0 36 302.443 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione 3-(3-chlorophenyl)-1,4-diazaspir…

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) 4.06 5.52 -6.83 1 2 0 26 264.781 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-fluorophenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione 3-(4-fluorophenyl)-1,4-diazaspir…

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) 3.57 5.08 -5.59 1 2 0 26 248.326 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-tert-butylphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione 3-(4-tert-butylphenyl)-1,4-diaza…

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) 5.11 7.32 -5.7 1 2 0 26 286.444 2 ↓

Parameters Provided:

ring.id = 249685
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 = 249685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=249685&filter.purchasability=annotated

Embed Link to Results