UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3 (5S)-2-[[2-(4-bromophenyl)-2-ket…

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) 6.21 15.41 -12.2 0 4 0 52 525.493 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-methyl-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3 (5R)-2-[[2-(4-bromophenyl)-2-ket…

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) 6.21 15.41 -12.21 0 4 0 52 525.493 5 ↓

Analogs

39869205
39869205
39869206
39869206

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 2-{[2-(4-chlorophenyl)-2-oxoethy…

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) 6.06 -0.1 -13.02 1 0 0 61 497.041 5 ↓

Analogs

2385257
2385257
2614188
2614188
2614189
2614189

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 2-{[2-(4-chlorophenyl)-2-oxoethy…

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) 6.45 0.21 -12.82 1 0 0 51 481.042 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 2-{[2-(4-bromophenyl)-2-oxoethyl…

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) 6.58 -0.4 -12.75 2 0 0 51 525.493 4 ↓

Analogs

2376540
2376540
39869110
39869110
39869115
39869115
39869117
39869117
39869209
39869209

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimi 2-[[2-keto-2-(4-methoxyphenyl)et…

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) 5.82 0.1 -14.21 0 6 0 70 506.649 8 ↓

Parameters Provided:

ring.id = 229715
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 = 229715 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=229715&filter.purchasability=annotated

Embed Link to Results