UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bR)-2-cyclohexyl-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quinone (12bR)-2-cyclohexyl-12b-methyl-3…

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) 3.24 -1.29 -8.08 1 5 0 56 351.45 1 ↓

Analogs

13002968
13002968

Draw Identity 99% 90% 80% 70%

Popular Name: (12bR)-2-benzyl-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quinone (12bR)-2-benzyl-12b-methyl-3,6,7…

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) 2.73 -0.81 -10.02 1 5 0 56 359.429 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bR)-9-methoxy-12b-methyl-2-o-anisyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quinone (12bR)-9-methoxy-12b-methyl-2-o-…

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) 2.77 -0.53 -9.66 1 7 0 74 419.481 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bR)-2-(4-fluorobenzyl)-9-methoxy-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-qu (12bR)-2-(4-fluorobenzyl)-9-meth…

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) 2.93 -0.05 -11.5 1 6 0 65 407.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(3-fluorobenzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline- (12bS)-2-[(E)-(3-fluorobenzylide…

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) 2.91 0.28 -15.53 1 6 0 68 390.418 2 ↓

Analogs

9033946
9033946

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(4-ethoxy-3-methoxy-benzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b (12bS)-2-[(E)-(4-ethoxy-3-methox…

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) 2.79 9.01 -15.12 1 8 0 87 446.507 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-4-pyridylmethyleneamino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4 (12bS)-12b-methyl-2-[(E)-4-pyrid…

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) 1.48 -1.26 -14.17 1 7 0 81 373.416 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(4-chlorobenzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline- (12bS)-2-[(E)-(4-chlorobenzylide…

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) 3.45 -0.63 -12.76 1 6 0 68 406.873 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-(4-methylbenzylidene)amino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline- (12bS)-12b-methyl-2-[(E)-(4-meth…

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) 3.22 -0.09 -12.76 1 6 0 68 386.455 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-benzalamino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quinone (12bS)-2-[(E)-benzalamino]-12b-m…

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) 2.77 -0.48 -12.86 1 6 0 68 372.428 2 ↓

Analogs

9034044
9034044

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-veratrylideneamino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quin (12bS)-12b-methyl-2-[(E)-veratry…

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) 2.42 8.09 -15.33 1 8 0 87 432.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(2,3-dimethoxybenzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carbo (12bS)-2-[(E)-(2,3-dimethoxybenz…

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) 2.59 8.56 -16.61 1 8 0 87 432.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-(3-methylbenzylidene)amino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline- (12bS)-12b-methyl-2-[(E)-(3-meth…

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) 3.19 -0.14 -12.5 1 6 0 68 386.455 2 ↓

Analogs

9034053
9034053

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(4-bromobenzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1 (12bS)-2-[(E)-(4-bromobenzyliden…

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) 3.58 9.49 -12.7 1 6 0 69 451.324 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-2-thenylideneamino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline-1,4-quin (12bS)-12b-methyl-2-[(E)-2-theny…

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) 2.67 -1.34 -13.9 1 6 0 68 378.457 2 ↓

Analogs

9034072
9034072

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-12b-methyl-2-[(E)-(3-phenoxybenzylidene)amino]-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carboline (12bS)-12b-methyl-2-[(E)-(3-phen…

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) 4.50 11.75 -12.76 1 7 0 78 464.525 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12bS)-2-[(E)-(2,3-dichlorobenzylidene)amino]-12b-methyl-3,6,7,12-tetrahydropyrazino[2,1-a]$b-carbol (12bS)-2-[(E)-(2,3-dichlorobenzy…

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) 4.03 10.03 -15.92 1 6 0 69 441.318 2 ↓

Parameters Provided:

ring.id = 231291
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 = 231291 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=231291&filter.purchasability=annotated

Embed Link to Results