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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14549998
14549998
14549999
14549999
14550000
14550000

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[4-(4-fluorophen…

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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) 3.69 9.62 -14.79 1 3 0 32 362.448 2 ↓

Analogs

14549999
14549999
14550000
14550000
14549997
14549997

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[4-(4-fluorophen…

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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) 3.69 10.66 -11.85 1 3 0 32 362.448 2 ↓

Analogs

14550000
14550000
14549997
14549997
14549998
14549998

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[4-(4-fluorophen…

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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) 3.69 10.85 -11.93 1 3 0 32 362.448 2 ↓

Analogs

14549997
14549997
14549998
14549998
14549999
14549999

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[4-(4-fluorophen…

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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) 3.69 10.21 -12.72 1 3 0 32 362.448 2 ↓

Analogs

14550594
14550594
14550595
14550595
14550596
14550596

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.56 8.84 -13.13 1 4 0 42 374.484 3 ↓

Analogs

14550595
14550595
14550596
14550596
14550593
14550593

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.56 9.57 -15.5 1 4 0 42 374.484 3 ↓

Analogs

14550596
14550596
14550593
14550593
14550594
14550594

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.56 10.08 -12.52 1 4 0 42 374.484 3 ↓

Analogs

14550593
14550593
14550594
14550594
14550595
14550595

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.56 9.43 -11.76 1 4 0 42 374.484 3 ↓

Analogs

14551624
14551624
14551625
14551625
14551626
14551626
14480333
14480333
14480334
14480334

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)carbonyl]- pyrrolidine, 1-[(3a,4,5,9b-tetra…

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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) 3.53 9.55 -12.85 1 3 0 32 344.458 2 ↓

Analogs

14551625
14551625
14551626
14551626
14551623
14551623
14480335
14480335
14480336
14480336

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)carbonyl]- pyrrolidine, 1-[(3a,4,5,9b-tetra…

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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) 3.53 10.6 -10.96 1 3 0 32 344.458 2 ↓

Analogs

14551626
14551626
14480333
14480333
14480334
14480334
14480335
14480335
14480336
14480336

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)carbonyl]- pyrrolidine, 1-[(3a,4,5,9b-tetra…

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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) 3.53 10.79 -10.7 1 3 0 32 344.458 2 ↓

Analogs

14480333
14480333
14480334
14480334
14480335
14480335
14480336
14480336
14551623
14551623

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-8-yl)carbonyl]- pyrrolidine, 1-[(3a,4,5,9b-tetra…

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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) 3.53 10.12 -11.26 1 3 0 32 344.458 2 ↓

Analogs

14552274
14552274
14552275
14552275
14552276
14552276

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.96 10.56 -15.06 1 3 0 32 390.552 3 ↓

Analogs

14552275
14552275
14552276
14552276
14552273
14552273

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.96 11.62 -11.96 1 3 0 32 390.552 3 ↓

Analogs

14552276
14552276
14552273
14552273
14552274
14552274

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.96 11.83 -11.66 1 3 0 32 390.552 3 ↓

Analogs

14552273
14552273
14552274
14552274
14552275
14552275

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-8-yl]carbonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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) 3.96 11.16 -12.12 1 3 0 32 390.552 3 ↓

Parameters Provided:

ring.id = 243947
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 = 243947 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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