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

Analogs

14549534
14549534
14549535
14549535
14549536
14549536
14464723
14464723
14464725
14464725

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.34 12.4 -14.34 2 3 0 41 466.584 3 ↓

Analogs

14549535
14549535
14549536
14549536
14464723
14464723
14464725
14464725
14464727
14464727

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.34 15.07 -13.88 2 3 0 41 466.584 3 ↓

Analogs

14549536
14549536
14464723
14464723
14464725
14464725
14464727
14464727
14464729
14464729

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.34 16.31 -11.75 2 3 0 41 466.584 3 ↓

Analogs

14549533
14549533
14549534
14549534
14549535
14549535
14464723
14464723
14464725
14464725

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.34 16.19 -11.42 2 3 0 41 466.584 3 ↓

Analogs

14552530
14552530
14552531
14552531
14552532
14552532
14552417
14552417
14552418
14552418

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.74 13.07 -12.98 2 3 0 41 480.611 3 ↓

Analogs

14552531
14552531
14552532
14552532
14552417
14552417
14552418
14552418
14552419
14552419

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.74 15.7 -11.74 2 3 0 41 480.611 3 ↓

Analogs

14552532
14552532
14552417
14552417
14552418
14552418
14552419
14552419
14552420
14552420

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.74 16.97 -10.72 2 3 0 41 480.611 3 ↓

Analogs

14552529
14552529
14552530
14552530
14552531
14552531
14552417
14552417
14552418
14552418

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.74 16.47 -15.18 2 3 0 41 480.611 3 ↓

Analogs

14553688
14553688
14553689
14553689
14553690
14553690
14553575
14553575
14553576
14553576

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.77 13.07 -16.12 2 3 0 41 480.611 3 ↓

Analogs

14553689
14553689
14553690
14553690
14553575
14553575
14553576
14553576
14553577
14553577

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methyl- benzamide, N-[4-(9-anthracenyl)-…

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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) 7.77 15.73 -13.79 2 3 0 41 480.611 3 ↓

Analogs

14553690
14553690
14553575
14553575
14553576
14553576
14553577
14553577
14553578
14553578

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methyl- benzamide, N-[4-(9-anthracenyl)-…

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) 7.77 16.95 -11.88 2 3 0 41 480.611 3 ↓

Analogs

14553687
14553687
14553688
14553688
14553689
14553689
14553575
14553575
14553576
14553576

Draw Identity 99% 90% 80% 70%

Popular Name: benzamide, N-[4-(9-anthracenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methyl- benzamide, N-[4-(9-anthracenyl)-…

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) 7.77 16.42 -13.39 2 3 0 41 480.611 3 ↓

Parameters Provided:

ring.id = 243717
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 = 243717 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243717&filter.purchasability=annotated

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