UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14550006
14550006
14550007
14550007
14550008
14550008

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[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) 4.70 11.55 -12.17 1 3 0 32 390.502 2 ↓

Analogs

14550007
14550007
14550008
14550008
14550005
14550005

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[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) 4.70 12.43 -10.09 1 3 0 32 390.502 2 ↓

Analogs

14550008
14550008
14550005
14550005
14550006
14550006

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[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) 4.70 12.61 -11.11 1 3 0 32 390.502 2 ↓

Analogs

14550005
14550005
14550006
14550006
14550007
14550007

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[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) 4.70 12.12 -13.19 1 3 0 32 390.502 2 ↓

Analogs

14550602
14550602
14550603
14550603
14550604
14550604

Draw Identity 99% 90% 80% 70%

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

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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) 4.57 10.6 -10.73 1 4 0 42 402.538 3 ↓

Analogs

14550603
14550603
14550604
14550604
14550601
14550601

Draw Identity 99% 90% 80% 70%

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

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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) 4.57 11.48 -14.29 1 4 0 42 402.538 3 ↓

Analogs

14550604
14550604
14550601
14550601
14550602
14550602

Draw Identity 99% 90% 80% 70%

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

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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) 4.57 11.99 -10.85 1 4 0 42 402.538 3 ↓

Analogs

14550601
14550601
14550602
14550602
14550603
14550603

Draw Identity 99% 90% 80% 70%

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

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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) 4.57 11.21 -12.68 1 4 0 42 402.538 3 ↓

Analogs

14552282
14552282
14552283
14552283
14552284
14552284

Draw Identity 99% 90% 80% 70%

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

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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) 4.97 12.5 -12.21 1 3 0 32 418.606 3 ↓

Analogs

14552283
14552283
14552284
14552284
14552281
14552281

Draw Identity 99% 90% 80% 70%

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

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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) 4.97 13.39 -10.09 1 3 0 32 418.606 3 ↓

Analogs

14552284
14552284
14552281
14552281
14552282
14552282

Draw Identity 99% 90% 80% 70%

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

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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) 4.97 13.57 -10.98 1 3 0 32 418.606 3 ↓

Analogs

14552281
14552281
14552282
14552282
14552283
14552283

Draw Identity 99% 90% 80% 70%

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

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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) 4.97 13.07 -12.47 1 3 0 32 418.606 3 ↓

Parameters Provided:

ring.id = 243953
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 = 243953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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