UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: bis(10H-indolo[3,2-b]quinolin-11-yl)methanone bis(10H-indolo[3,2-b]quinolin-11…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6400 0.20 Functional ≤ 10μM
Z50466-2-O Trypanosoma Cruzi (cluster #2 Of 8), Other Other 5700 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 6400 0.20 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 5700 0.20 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) 7.56 13.05 -14.25 2 5 0 74 462.512 2 ↓

Analogs

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Popular Name: 11-indolo[3,2-b]quinolin-10-yl-5-methyl-quinolino[3,2-b]indole 11-indolo[3,2-b]quinolin-10-yl-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) 7.71 16.07 -25.61 0 4 0 36 448.529 1 ↓

Analogs

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Popular Name: N-(2-morpholinoethyl)-10H-indolo[3,2-b]quinolin-11-amine N-(2-morpholinoethyl)-10H-indolo…

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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) 3.75 5.58 -27.32 3 5 1 54 347.442 4 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-(10H-quinolino[3,2-b]indol-11-yl)ethane-1,2-diamine N,N-dimethyl-N'-(10H-quinolino[3…

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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) 3.91 8.22 -80.58 4 4 2 46 306.413 4 ↓

Analogs

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Popular Name: N,N-dimethyl-N'-(10H-quinolino[3,2-b]indol-11-yl)propane-1,3-diamine N,N-dimethyl-N'-(10H-quinolino[3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TERT-1-E Telomerase Reverse Transcriptase (cluster #1 Of 2), Eukaryotic Eukaryotes 630 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 630 0.36 Binding ≤ 1μM
TERT_HUMAN O14746 Telomerase Reverse Transcriptase, Human 630 0.36 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) 4.18 8.99 -76 4 4 2 46 320.44 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(10H-indolo[3,2-b]quinolin-11-ylamino)ethanol 2-(10H-indolo[3,2-b]quinolin-11-…

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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) 3.25 3.61 -23.45 4 4 1 62 278.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(10H-indolo[3,2-b]quinolin-11-ylamino)propan-1-ol 3-(10H-indolo[3,2-b]quinolin-11-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81020-7-O HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other Other 1300 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81020 Z81020 HepG2 (Hepatoblastoma Cells) 1000 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) 3.52 4.31 -25.58 4 4 1 62 292.362 4 ↓

Analogs

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Popular Name: Cryptolepine hydrochloride Cryptolepine hydrochloride

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103205-3-O A431 (cluster #3 Of 4), Other Other 340 0.50 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 440 0.49 Functional ≤ 10μM
Z50426-9-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other Other 440 0.49 Functional ≤ 10μM
Z50466-2-O Trypanosoma Cruzi (cluster #2 Of 8), Other Other 1300 0.46 Functional ≤ 10μM
Z80120-4-O DLD-1 (Colon Adenocarcinoma Cells) (cluster #4 Of 5), Other Other 1440 0.45 Functional ≤ 10μM
Z80682-11-O A549 (Lung Carcinoma Cells) (cluster #11 Of 11), Other Other 550 0.49 Functional ≤ 10μM
Z81135-3-O L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 4), Other Other 8100 0.40 Functional ≤ 10μM
Z81225-2-O M109 (Lung Carcinoma Cells) (cluster #2 Of 2), Other Other 1000 0.47 Functional ≤ 10μM
Z81240-1-O MAC15A (Colon Adenocarcinoma Cells) (cluster #1 Of 1), Other Other 9650 0.39 Functional ≤ 10μM
Z100094-1-O MLF (Lung Fibroblast Cells) (cluster #1 Of 1), Other Other 4900 0.41 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103205 Z103205 A431 340 0.50 Functional ≤ 10μM
Z80682 Z80682 A549 (Lung Carcinoma Cells) 550 0.49 Functional ≤ 10μM
Z80120 Z80120 DLD-1 (Colon Adenocarcinoma Cells) 1440 0.45 Functional ≤ 10μM
Z81135 Z81135 L6 (Skeletal Muscle Myoblast Cells) 8100 0.40 Functional ≤ 10μM
Z81225 Z81225 M109 (Lung Carcinoma Cells) 1000 0.47 Functional ≤ 10μM
Z81240 Z81240 MAC15A (Colon Adenocarcinoma Cells) 9650 0.39 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 330 0.50 Functional ≤ 10μM
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 440 0.49 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 125 0.54 Functional ≤ 10μM
Z100094 Z100094 MLF (Lung Fibroblast Cells) 4900 0.41 ADME/T ≤ 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) 0.42 8.58 -23.57 1 2 1 20 233.294 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-(10H-indolo[3,2-b]quinolin-11-yloxy)ethanamine N,N-diethyl-2-(10H-indolo[3,2-b]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 2638 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 2638 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) 4.86 10.6 -78.74 3 4 2 44 335.451 6 ↓
Hi High (pH 8-9.5) 4.86 8.28 -8.49 1 4 0 41 333.435 6 ↓
Hi High (pH 8-9.5) 4.86 8.43 -22.85 2 4 1 42 334.443 6 ↓

Analogs

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Popular Name: 2-[3,7-dichloro-11-(2-diethylaminoethyloxy)indolo[3,2-b]quinolin-10-yl]-N,N-diethyl-ethanamine 2-[3,7-dichloro-11-(2-diethylami…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 51 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 51 0.30 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) 7.02 16.26 -122.72 2 5 2 36 503.518 11 ↓
Hi High (pH 8-9.5) 7.02 13.59 -45.43 1 5 1 35 502.51 11 ↓
Hi High (pH 8-9.5) 7.02 11.36 -6.03 0 5 0 34 501.502 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,7-dichloro-10H-indolo[3,2-b]quinolin-11-yl)oxy]-N,N-diethyl-ethanamine 2-[(3,7-dichloro-10H-indolo[3,2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 550 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 550 0.32 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) 6.17 11.61 -87.43 3 4 2 44 404.341 6 ↓
Hi High (pH 8-9.5) 6.17 9.29 -6.46 1 4 0 41 402.325 6 ↓
Mid Mid (pH 6-8) 6.17 11.26 -46.86 2 4 1 42 403.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chloro-10H-indolo[3,2-b]quinolin-11-yl)oxy]-N,N-diethyl-ethanamine 2-[(3-chloro-10H-indolo[3,2-b]qu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 1332 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1332 0.32 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) 5.51 11.09 -82.73 3 4 2 44 369.896 6 ↓
Hi High (pH 8-9.5) 5.51 8.93 -23.4 2 4 1 42 368.888 6 ↓
Hi High (pH 8-9.5) 5.51 8.55 -7.52 1 4 0 41 367.88 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-N'-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine N,N-diethyl-N'-(5-methyl-10H-ind…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 66 0.36 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 10000 0.25 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 29 0.38 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 10000 0.25 ADME/T ≤ 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) 1.53 12.72 -73.15 3 4 2 36 376.548 8 ↓

Analogs

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Popular Name: 5-methyl-N-[4-(1-piperidyl)phenyl]-10H-indolo[3,2-b]quinolin-5-ium-11-amine 5-methyl-N-[4-(1-piperidyl)pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 455 0.29 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 4830 0.24 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 176 0.31 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 4830 0.24 ADME/T ≤ 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) 3.35 13.53 -23.6 2 4 1 35 407.541 3 ↓
Mid Mid (pH 6-8) 3.35 14.18 -67.93 3 4 2 36 408.549 3 ↓

Analogs

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Popular Name: 2-[3-chloro-11-(2-diethylaminoethyloxy)indolo[3,2-b]quinolin-10-yl]-N,N-diethyl-ethanamine 2-[3-chloro-11-(2-diethylaminoet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 186 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 186 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) 6.36 16.13 -178.24 3 5 3 37 470.081 11 ↓
Hi High (pH 8-9.5) 6.36 11.08 -7.14 0 5 0 34 467.057 11 ↓
Hi High (pH 8-9.5) 6.36 11.72 -22.39 1 5 1 35 468.065 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[11-(2-diethylaminoethyloxy)indolo[3,2-b]quinolin-10-yl]-N,N-diethyl-ethanamine 2-[11-(2-diethylaminoethyloxy)in…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 539 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 539 0.27 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) 5.71 15.52 -169.8 3 5 3 37 435.636 11 ↓
Hi High (pH 8-9.5) 5.71 12.51 -78.66 2 5 2 36 434.628 11 ↓
Hi High (pH 8-9.5) 5.71 11.23 -22.11 1 5 1 35 433.62 11 ↓

Analogs

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Popular Name: 3-chloro-5-methyl-N-(4-piperidyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine 3-chloro-5-methyl-N-(4-piperidyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 52 0.39 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 4400 0.29 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 45 0.40 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 4400 0.29 ADME/T ≤ 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) 1.35 9.44 -87.25 4 4 2 48 366.896 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-isobutyl-4-piperidyl)-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine N-(1-isobutyl-4-piperidyl)-5-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 76 0.34 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 5000 0.26 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 70 0.35 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 5000 0.26 ADME/T ≤ 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) 2.42 13.29 -80.75 3 4 2 36 388.559 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)propane-1,3-diamine N-(5-methyl-10H-indolo[3,2-b]qui…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 26 0.46 Functional ≤ 10μM
Z80583-3-O Vero (Kidney Cells) (cluster #3 Of 3), Other Other 10000 0.30 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 133 0.42 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 10000 0.30 ADME/T ≤ 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) -0.72 6.65 -86.41 5 4 2 59 306.413 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium 7-chloro-5-methyl-10H-indolo[3,2…

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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) 1.08 9.1 -25.05 1 2 1 20 267.739 0 ↓

Analogs

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Popular Name: 9-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium 9-chloro-5-methyl-10H-indolo[3,2…

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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) 1.05 9.07 -25.19 1 2 1 20 267.739 0 ↓

Analogs

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Popular Name: 2-chloro-10-(5-cyclohexylpentyl)-5-methyl-indolo[3,2-b]quinolin-5-ium 2-chloro-10-(5-cyclohexylpentyl)…

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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) 5.17 17.89 -25.02 0 2 1 9 420.02 6 ↓

Analogs

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Popular Name: 1-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium 1-chloro-5-methyl-10H-indolo[3,2…

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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) 1.05 9 -24.5 1 2 1 20 267.739 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-chloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium 6-chloro-5-methyl-10H-indolo[3,2…

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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) 1.05 8.78 -23.17 1 2 1 20 267.739 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,11-dichloro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium 3,11-dichloro-5-methyl-10H-indol…

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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) 1.68 9.5 -23.2 1 2 1 20 302.184 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-N-(2-morpholinoethyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine 5-methyl-N-(2-morpholinoethyl)-1…

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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) 0.08 7.01 -24.78 2 5 1 44 361.469 4 ↓
Mid Mid (pH 6-8) 0.08 9.27 -88.64 3 5 2 45 362.477 4 ↓

Analogs

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Popular Name: N-(7,9-difluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)-N',N'-dimethyl-ethane-1,2-diamine N-(7,9-difluoro-5-methyl-10H-ind…

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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) -0.50 9.94 -85.91 3 4 2 36 356.42 4 ↓
Hi High (pH 8-9.5) 3.41 7.56 -25.61 2 4 1 38 355.412 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-N'-(7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine N,N-diethyl-N'-(7-fluoro-5-methy…

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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) 0.16 11.24 -87.75 3 4 2 36 366.484 6 ↓
Hi High (pH 8-9.5) 4.07 9.16 -25.81 2 4 1 38 365.476 5 ↓

Parameters Provided:

ring.id = 138004
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 = 138004 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=138004&filter.purchasability=annotated

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