UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(1S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-phenethyl-ammonium [(1S)-6-bromo-2,3,4,9-tetrahydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 410 0.39 Functional ≤ 10μM

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) 5.49 -1.68 -50.3 3 2 1 32 370.314 4 ↓

Analogs

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Popular Name: [(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-phenethyl-ammonium [(1R)-6-bromo-2,3,4,9-tetrahydro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 410 0.39 Functional ≤ 10μM

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) 5.49 -1.68 -50.35 3 2 1 32 370.314 4 ↓

Analogs

1196163
1196163
1196157
1196157

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Popular Name: 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-(1-phenylethyl)-2,3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 540 0.38 Functional ≤ 10μM
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 7100 0.31 Functional ≤ 10μM

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) 5.28 -0.15 -42.22 3 2 1 32 305.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-phenethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-phenethyl-2,3,4,9-tet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 2700 0.34 Functional ≤ 10μM

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) 5.13 -0.61 -47.36 3 2 1 32 305.445 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-phenethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-phenethyl-2,3,4,9-tet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 2700 0.34 Functional ≤ 10μM

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) 5.13 -0.61 -47.3 3 2 1 32 305.445 4 ↓

Analogs

1196159
1196159
1196161
1196161
1196163
1196163

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-(1-phenylethyl)-2,3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 540 0.38 Functional ≤ 10μM
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 6700 0.31 Functional ≤ 10μM

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) 5.28 -0.06 -42.06 3 2 1 32 305.445 3 ↓

Analogs

1196161
1196161
1196163
1196163
1196157
1196157

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-(1-phenylethyl)-2,3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 200 0.41 Functional ≤ 10μM
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 540 0.38 Functional ≤ 10μM

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) 5.28 -0.17 -42.12 3 2 1 32 305.445 3 ↓

Analogs

1196157
1196157

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-(1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine 6-methyl-N-(1-phenylethyl)-2,3,4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 300 0.40 Functional ≤ 10μM
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 540 0.38 Functional ≤ 10μM

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) 5.28 -0.06 -42.03 3 2 1 32 305.445 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol 2-[(6-bromo-2,3,4,9-tetrahydro-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 6830 0.40 Functional ≤ 10μM

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) 3.05 -4.76 -43.38 4 3 1 52 310.215 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol 2-[(6-bromo-2,3,4,9-tetrahydro-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 6830 0.40 Functional ≤ 10μM

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) 3.05 -4.76 -43.08 4 3 1 52 310.215 3 ↓

Analogs

4350540
4350540

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-6-chloro-2,3,4,9-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 330 0.41 Functional ≤ 10μM

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) 4.95 -1.19 -48.5 3 2 1 32 311.836 3 ↓

Analogs

4350538
4350538

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Popular Name: N-benzyl-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-6-chloro-2,3,4,9-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 330 0.41 Functional ≤ 10μM

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) 4.95 -1.22 -48.48 3 2 1 32 311.836 3 ↓

Analogs

4350803
4350803

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Popular Name: N-benzyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-2,3,4,9-tetrahydro-1H-c…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 6700 0.34 Functional ≤ 10μM

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) 4.30 -1.08 -45.66 3 2 1 32 277.391 3 ↓

Analogs

4350801
4350801

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-2,3,4,9-tetrahydro-1H-c…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 6700 0.34 Functional ≤ 10μM

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) 4.30 -1.05 -45.53 3 2 1 32 277.391 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-6-methyl-2,3,4,9-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 1900 0.36 Functional ≤ 10μM

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) 4.72 -0.75 -45.76 3 2 1 32 291.418 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine N-benzyl-6-methyl-2,3,4,9-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 1900 0.36 Functional ≤ 10μM

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) 4.72 -0.73 -45.59 3 2 1 32 291.418 3 ↓

Analogs

3684419
3684419

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Popular Name: BRD-A61345960-001-01-8 BRD-A61345960-001-01-8

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 150 0.43 Functional ≤ 10μM

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) 5.08 -1.83 -48.47 3 2 1 32 356.287 3 ↓

Analogs

3684418
3684418

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Popular Name: BRD-A61345960-001-01-8 BRD-A61345960-001-01-8

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 150 0.43 Functional ≤ 10μM

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) 5.08 -1.8 -48.49 3 2 1 32 356.287 3 ↓

Analogs

40974836
40974836

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Popular Name: (1R)-N-benzyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (1R)-N-benzyl-6-nitro-2,3,4,9-te…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 230 0.39 Functional ≤ 10μM

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) 4.23 10.58 -57.99 3 5 1 78 322.388 4 ↓

Analogs

40974834
40974834

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Popular Name: (1S)-N-benzyl-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (1S)-N-benzyl-6-nitro-2,3,4,9-te…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 230 0.39 Functional ≤ 10μM

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) 4.23 10.58 -58 3 5 1 78 322.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-2-carboxamide N-(6-chloro-2,3,4,9-tetrahydro-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z101849-2-O Human Papillomavirus Type 16 (cluster #2 Of 2), Other Other 9000 0.31 Functional ≤ 10μM

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) 3.42 -2.72 -8.22 2 4 0 57 325.799 2 ↓

Parameters Provided:

annotation.name = Z101849
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z101849' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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