UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32225650
32225650
32225651
32225651
32226492
32226492
32226615
32226615
32226654
32226654

Draw Identity 99% 90% 80% 70%

Popular Name: Cyclohexene sulfide Cyclohexene sulfide

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) 2.09 -0.59 -5.91 0 0 0 0 114.213 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S,4R,6S)-1,6-diphenyl-2,5-dithiadispiro[2.0.2^{4}.4^{3}]decane (1R,3S,4R,6S)-1,6-diphenyl-2,5-d…

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) 5.78 13.6 -9.08 0 0 0 0 324.514 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,4S,6S)-1,6-diphenyl-2,5-dithiadispiro[2.0.2^{4}.4^{3}]decane (1S,3R,4S,6S)-1,6-diphenyl-2,5-d…

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) 5.78 13.03 -10.53 0 0 0 0 324.514 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R,4R,6S)-1,6-diphenyl-2,5-dithiadispiro[2.0.2^{4}.4^{3}]decane (1R,3R,4R,6S)-1,6-diphenyl-2,5-d…

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) 5.78 13.3 -7.93 0 0 0 0 324.514 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R,4R,6S)-1,6-diphenyl-2,5-dithiadispiro[2.0.2^{4}.4^{3}]decane (1S,3R,4R,6S)-1,6-diphenyl-2,5-d…

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) 5.78 13.6 -7.16 0 0 0 0 324.514 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(iodomethyl)thiirane (2R)-2-(iodomethyl)thiirane

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) 1.70 4.51 -6.26 0 0 0 0 200.044 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(iodomethyl)thiirane (2S)-2-(iodomethyl)thiirane

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) 1.70 4.51 -6.26 0 0 0 0 200.044 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-1-[4-[[(2R)-thiiran-2-yl]methoxy]phenyl]prop-2-en-1-one (E)-3-(4-methoxyphenyl)-1-[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) 4.30 10.07 -14.49 0 3 0 36 326.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(4-methoxyphenyl)-1-[4-[[(2S)-thiiran-2-yl]methoxy]phenyl]prop-2-en-1-one (E)-3-(4-methoxyphenyl)-1-[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) 4.30 9.98 -12.38 0 3 0 36 326.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(4-methoxyphenyl)-3-[4-[[(2R)-thiiran-2-yl]methoxy]phenyl]prop-2-en-1-one (E)-1-(4-methoxyphenyl)-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) 4.30 10.07 -14.88 0 3 0 36 326.417 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-1-(4-methoxyphenyl)-3-[4-[[(2S)-thiiran-2-yl]methoxy]phenyl]prop-2-en-1-one (E)-1-(4-methoxyphenyl)-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) 4.30 9.98 -12.15 0 3 0 36 326.417 7 ↓

Parameters Provided:

ring.id = 102775
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 = 102775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=102775&filter.purchasability=annotated

Embed Link to Results