UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14549986
14549986
14549987
14549987
14549988
14549988

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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) 3.13 8.1 -13.73 1 4 0 42 378.447 2 ↓

Analogs

14549987
14549987
14549988
14549988
14549985
14549985

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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) 3.13 9.16 -10.31 1 4 0 42 378.447 2 ↓

Analogs

14549988
14549988
14549985
14549985
14549986
14549986

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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) 3.13 9.35 -11.1 1 4 0 42 378.447 2 ↓

Analogs

14549985
14549985
14549986
14549986
14549987
14549987

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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) 3.13 8.67 -12.97 1 4 0 42 378.447 2 ↓

Analogs

14550582
14550582
14550583
14550583
14550584
14550584

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.00 7.3 -11.66 1 5 0 51 390.483 3 ↓

Analogs

14550583
14550583
14550584
14550584
14550581
14550581

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.00 8.36 -10.8 1 5 0 51 390.483 3 ↓

Analogs

14550584
14550584
14550581
14550581
14550582
14550582

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.00 8.53 -11.19 1 5 0 51 390.483 3 ↓

Analogs

14550581
14550581
14550582
14550582
14550583
14550583

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.00 7.95 -11.93 1 5 0 51 390.483 3 ↓

Analogs

14552262
14552262
14552263
14552263
14552264
14552264

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.40 9.08 -12.13 1 4 0 42 406.551 3 ↓

Analogs

14552263
14552263
14552264
14552264
14552261
14552261

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.40 9.77 -12.17 1 4 0 42 406.551 3 ↓

Analogs

14552264
14552264
14552261
14552261
14552262
14552262

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.40 10.36 -10.83 1 4 0 42 406.551 3 ↓

Analogs

14552261
14552261
14552262
14552262
14552263
14552263

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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) 3.40 9.63 -12.61 1 4 0 42 406.551 3 ↓

Parameters Provided:

ring.id = 243932
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 = 243932 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243932&filter.purchasability=annotated

Embed Link to Results