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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethylbenzo[h]quinolin-4-yl)hydrazine (2-ethylbenzo[h]quinolin-4-yl)hy…

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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) 3.59 6.7 -24.47 4 3 1 52 238.314 2 ↓
Hi High (pH 8-9.5) 3.59 6.44 -8.87 3 3 0 51 237.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-isopropylbenzo[h]quinolin-4-yl)hydrazine (2-isopropylbenzo[h]quinolin-4-y…

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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) 4.07 7.19 -23.83 4 3 1 52 252.341 2 ↓
Hi High (pH 8-9.5) 4.07 6.85 -9.17 3 3 0 51 251.333 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-propylbenzo[h]quinolin-4-yl)hydrazine (2-propylbenzo[h]quinolin-4-yl)h…

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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) 4.09 7.48 -24.6 4 3 1 52 252.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,3-dimethylbenzo[h]quinolin-4-yl)hydrazine (2,3-dimethylbenzo[h]quinolin-4-…

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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) 3.39 6.57 -23.98 4 3 1 52 238.314 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-methylbenzo[h]quinolin-4-yl)hydrazine (2-methylbenzo[h]quinolin-4-yl)h…

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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) 3.02 5.96 -25.27 4 3 1 52 224.287 1 ↓
Hi High (pH 8-9.5) 3.02 5.63 -9.33 3 3 0 51 223.279 1 ↓

Analogs

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Popular Name: [2-(trifluoromethyl)benzo[h]quinolin-4-yl]hydrazine [2-(trifluoromethyl)benzo[h]quin…

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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) 3.93 6.13 -9.83 3 3 0 51 277.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethyl-2-methyl-benzo[h]quinolin-4-yl)hydrazine (3-ethyl-2-methyl-benzo[h]quinol…

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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) 3.86 7.28 -24.63 4 3 1 52 252.341 2 ↓

Analogs

5808063
5808063

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Popular Name: 4-[(2-methylbenzo[h]quinolin-4-yl)amino]benzoic-acid-ethyl-ester 4-[(2-methylbenzo[h]quinolin-4-y…

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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) 6.31 1.35 -10.47 1 4 0 51 356.425 5 ↓

Analogs

34626486
34626486
41718690
41718690
41718694
41718694
41718702
41718702
41718718
41718718

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methylphenoxy)benzo[h]quinoline-3-carboxylic-acid-ethyl-ester 4-(3-methylphenoxy)benzo[h]quino…

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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) 5.70 3.05 -10.33 0 4 0 48 357.409 5 ↓

Analogs

3632976
3632976

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Popular Name: 4-(4-methylpiperazin-1-yl)benzo[h]quinoline 4-(4-methylpiperazin-1-yl)benzo[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT3A-2-E Serotonin 3a (5-HT3a) Receptor (cluster #2 Of 5), Eukaryotic Eukaryotes 490 0.42 Binding ≤ 10μM
5HT3B-2-E Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 490 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT3A_RAT P35563 Serotonin 3a (5-HT3a) Receptor, Rat 490 0.42 Binding ≤ 1μM
5HT3B_RAT Q9JJ16 Serotonin 3b (5-HT3b) Receptor, Rat 490 0.42 Binding ≤ 1μM
5HT3A_RAT P35563 Serotonin 3a (5-HT3a) Receptor, Rat 490 0.42 Binding ≤ 10μM
5HT3B_RAT Q9JJ16 Serotonin 3b (5-HT3b) Receptor, Rat 490 0.42 Binding ≤ 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) 3.33 10.7 -86.69 2 3 2 22 279.387 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1-ethyl-6-methoxy-4-methyl-benzo[h]quinolin-1-ium-3-yl)methylene]-3-methyl-thiazole (2Z)-2-[(1-ethyl-6-methoxy-4-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50600-2-O Vaccinia Virus (cluster #2 Of 2), Other Other 3500 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50600 Z50600 Vaccinia Virus 3500 0.29 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) 1.37 12.48 -22.58 0 3 1 18 363.506 3 ↓
Mid Mid (pH 6-8) -2.84 12.87 -83.6 0 3 2 16 364.514 3 ↓

Parameters Provided:

ring.id = 17467
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 = 17467 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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