UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14549754
14549754
14549755
14549755
14549756
14549756

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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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) 2.17 9.43 -9.73 1 4 0 42 378.447 2 ↓

Analogs

14549755
14549755
14549756
14549756
14549753
14549753

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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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) 2.17 8.76 -8.73 1 4 0 42 378.447 2 ↓

Analogs

14549756
14549756
14549753
14549753
14549754
14549754

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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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) 2.17 7.93 -8.58 1 4 0 42 378.447 2 ↓

Analogs

14549753
14549753
14549754
14549754
14549755
14549755

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[4-(4-fluoropheny…

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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) 2.17 9.12 -8.8 1 4 0 42 378.447 2 ↓

Analogs

14550346
14550346
14550347
14550347
14550348
14550348

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.04 7.35 -12.23 1 5 0 51 390.483 3 ↓

Analogs

14550347
14550347
14550348
14550348
14550345
14550345

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.04 8.51 -11.79 1 5 0 51 390.483 3 ↓

Analogs

14550348
14550348
14550345
14550345
14550346
14550346

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.04 8.81 -9.81 1 5 0 51 390.483 3 ↓

Analogs

14550345
14550345
14550346
14550346
14550347
14550347

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.04 7.9 -9.86 1 5 0 51 390.483 3 ↓

Analogs

14551388
14551388
14551389
14551389
14551390
14551390
14480085
14480085
14480086
14480086

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- morpholine, 4-[(3a,4,5,9b-tetrah…

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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) 2.01 8.06 -9.69 1 4 0 42 360.457 2 ↓

Analogs

14551389
14551389
14551390
14551390
14480085
14480085
14480086
14480086
14480087
14480087

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- morpholine, 4-[(3a,4,5,9b-tetrah…

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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) 2.01 9.16 -8.91 1 4 0 42 360.457 2 ↓

Analogs

14551390
14551390
14480085
14480085
14480086
14480086
14480087
14480087
14480088
14480088

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- morpholine, 4-[(3a,4,5,9b-tetrah…

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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) 2.01 9.35 -8.82 1 4 0 42 360.457 2 ↓

Analogs

14551387
14551387
14551388
14551388
14551389
14551389

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- morpholine, 4-[(3a,4,5,9b-tetrah…

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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) 2.01 8.73 -9.48 1 4 0 42 360.457 2 ↓

Analogs

14552026
14552026
14552027
14552027
14552028
14552028

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.44 8.89 -8.73 1 4 0 42 406.551 3 ↓

Analogs

14552027
14552027
14552028
14552028
14552025
14552025

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.44 10.04 -9.13 1 4 0 42 406.551 3 ↓

Analogs

14552028
14552028
14552025
14552025
14552026
14552026

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.44 10.38 -10.23 1 4 0 42 406.551 3 ↓

Analogs

14552025
14552025
14552026
14552026
14552027
14552027

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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) 2.44 9.63 -9.35 1 4 0 42 406.551 3 ↓

Parameters Provided:

ring.id = 243805
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 = 243805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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