UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14549746
14549746
14549747
14549747
14549748
14549748

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-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) 2.73 11.1 -10.05 1 3 0 32 362.448 2 ↓

Analogs

14549747
14549747
14549748
14549748
14549745
14549745

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-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) 2.73 10.38 -8.91 1 3 0 32 362.448 2 ↓

Analogs

14549748
14549748
14549745
14549745
14549746
14549746

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-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) 2.73 9.57 -9.07 1 3 0 32 362.448 2 ↓

Analogs

14549745
14549745
14549746
14549746
14549747
14549747

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-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) 2.73 10.9 -9.39 1 3 0 32 362.448 2 ↓

Analogs

14550338
14550338
14550339
14550339
14550340
14550340

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-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) 2.60 8.81 -9.55 1 4 0 42 374.484 3 ↓

Analogs

14550339
14550339
14550340
14550340
14550337
14550337

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-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) 2.60 10.19 -12.27 1 4 0 42 374.484 3 ↓

Analogs

14550340
14550340
14550337
14550337
14550338
14550338

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-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) 2.60 10.44 -10.18 1 4 0 42 374.484 3 ↓

Analogs

14550337
14550337
14550338
14550338
14550339
14550339

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-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) 2.60 9.59 -11.83 1 4 0 42 374.484 3 ↓

Analogs

14551380
14551380
14551381
14551381
14551382
14551382
14480077
14480077
14480078
14480078

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-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) 2.57 9.5 -8.86 1 3 0 32 344.458 2 ↓

Analogs

14551381
14551381
14551382
14551382
14480077
14480077
14480078
14480078
14480079
14480079

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-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) 2.57 10.84 -9.41 1 3 0 32 344.458 2 ↓

Analogs

14551382
14551382
14480077
14480077
14480078
14480078
14480079
14480079
14480080
14480080

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-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) 2.57 10.98 -10.05 1 3 0 32 344.458 2 ↓

Analogs

14551379
14551379
14551380
14551380
14551381
14551381
14480077
14480077
14480078
14480078

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-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) 2.57 10.28 -9.39 1 3 0 32 344.458 2 ↓

Analogs

14552018
14552018
14552019
14552019
14552020
14552020

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-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) 3.00 10.73 -11.59 1 3 0 32 390.552 3 ↓

Analogs

14552019
14552019
14552020
14552020
14552017
14552017

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-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) 3.00 11.69 -9.82 1 3 0 32 390.552 3 ↓

Analogs

14552020
14552020
14552017
14552017
14552018
14552018

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-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) 3.00 12.06 -10.7 1 3 0 32 390.552 3 ↓

Analogs

14552017
14552017
14552018
14552018
14552019
14552019

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-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) 3.00 11.34 -9.35 1 3 0 32 390.552 3 ↓

Parameters Provided:

ring.id = 243800
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 = 243800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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