UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2159271
2159271
2159274
2159274
5860226
5860226
5860235
5860235
8381545
8381545

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Popular Name: (6S,12aS)-2-cyclohexyl-6-phenyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6S,12aS)-2-cyclohexyl-6-phenyl-…

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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) 4.38 -1.66 -8.32 1 5 0 56 413.521 2 ↓

Analogs

2151678
2151678
2159271
2159271
2159274
2159274
5860226
5860226
5860235
5860235

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aS)-2-cyclohexyl-6-phenyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6R,12aS)-2-cyclohexyl-6-phenyl-…

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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) 4.38 -0.83 -9.61 1 5 0 56 413.521 2 ↓

Analogs

15955172
15955172
15955173
15955173

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,12aR)-2-cyclohexyl-6-(4-methoxyphenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4- (6S,12aR)-2-cyclohexyl-6-(4-meth…

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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) 4.43 -0.81 -10.51 1 6 0 65 443.547 3 ↓

Analogs

15955172
15955172
15955173
15955173

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aR)-2-cyclohexyl-6-(4-methoxyphenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4- (6R,12aR)-2-cyclohexyl-6-(4-meth…

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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) 4.43 -1.64 -9.57 1 6 0 65 443.547 3 ↓

Analogs

2148313
2148313

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,12aR)-2-cyclohexyl-6-(3,4,5-trimethoxyphenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboli (6S,12aR)-2-cyclohexyl-6-(3,4,5-…

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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) 4.01 10.66 -12.4 1 8 0 84 503.599 5 ↓

Analogs

2148313
2148313

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aR)-2-cyclohexyl-6-(3,4,5-trimethoxyphenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboli (6R,12aR)-2-cyclohexyl-6-(3,4,5-…

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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) 4.01 10.59 -13.19 1 8 0 84 503.599 5 ↓

Parameters Provided:

ring.id = 232166
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 = 232166 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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