ZINC 12

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.01	5.36	-13.79	1	6	0	77	308.341	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.01	5.76	-46.2	2	6	1	78	309.349	5	↓ MOL2 SDF SMILES Flexibase

52893699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-chlorophenyl)ethyl]-3-(4…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	8.49	-14.89	1	5	0	64	355.825	6	↓ MOL2 SDF SMILES Flexibase

52893814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-methoxyphenyl)ethyl]-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	7.27	-15.96	1	6	0	73	351.406	7	↓ MOL2 SDF SMILES Flexibase

52893848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(3,4-dimethoxyphenyl)methyl]-…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.83	6.4	-16.3	1	7	0	82	367.405	7	↓ MOL2 SDF SMILES Flexibase

52894051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3,4-dimethoxyphenyl)ethyl]…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	7.16	-18.77	1	7	0	82	381.432	8	↓ MOL2 SDF SMILES Flexibase

52894161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenoxy)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(2-methoxyphenoxy)ethyl]-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.08	6.7	-16.48	1	7	0	82	367.405	8	↓ MOL2 SDF SMILES Flexibase

52894394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1-adamantyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(1-adamantyl)ethyl]-3-(4-ox…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	9.63	-12.15	1	5	0	64	379.504	6	↓ MOL2 SDF SMILES Flexibase

52894448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-2-morpholino-propyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methyl-2-morpholino-propyl)…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.47	4.08	-12.4	1	7	0	76	358.442	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.47	6.05	-49.82	2	7	1	78	359.45	6	↓ MOL2 SDF SMILES Flexibase

52894525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-indol-1-ylpropyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3-indol-1-ylpropyl)-3-(4-oxoc…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	9.96	-16.59	1	6	0	69	374.444	7	↓ MOL2 SDF SMILES Flexibase

52894876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-(3-phenylsulfanylpropyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.11	9.2	-14.62	1	5	0	64	367.474	8	↓ MOL2 SDF SMILES Flexibase

52894963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3-chlorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3-chlorophenyl)ethyl]-3-(4…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	8.48	-14.63	1	5	0	64	355.825	6	↓ MOL2 SDF SMILES Flexibase

52894974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isopropylphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(4-isopropylphenyl)ethyl]-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	9.9	-13.83	1	5	0	64	363.461	7	↓ MOL2 SDF SMILES Flexibase

52895306

Analogs

8369252

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]propanamide 3-(4-oxocinnolin-1-yl)-N-[2-(p-t…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	10	-15.29	1	5	0	64	381.501	8	↓ MOL2 SDF SMILES Flexibase

52895489

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide 3-(4-oxocinnolin-1-yl)-N-[2-oxo-…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	7.83	-15.73	2	7	0	93	392.459	6	↓ MOL2 SDF SMILES Flexibase

52895574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-methoxyphenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(2-methoxyphenyl)ethyl]-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.60	7.32	-14.9	1	6	0	73	351.406	7	↓ MOL2 SDF SMILES Flexibase

52895666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-3-(4-oxocinnolin-1-yl)propanamide N-[2-(3,4-difluoroanilino)-2-oxo…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	5.7	-19.93	2	7	0	93	386.358	6	↓ MOL2 SDF SMILES Flexibase

52895836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-chlorophenyl)-cyclopropyl-methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(R)-(4-chlorophenyl)-cyclopro…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	9.99	-12.34	1	5	0	64	381.863	6	↓ MOL2 SDF SMILES Flexibase

52895837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-chlorophenyl)-cyclopropyl-methyl]-3-(4-oxocinnolin-1-yl)propanamide N-[(S)-(4-chlorophenyl)-cyclopro…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.91	10.51	-12.84	1	5	0	64	381.863	6	↓ MOL2 SDF SMILES Flexibase

52918844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-(2-aminophenyl)ethyl]cinnolin-4-one 1-[2-(2-aminophenyl)ethyl]cinnol…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.64	6.87	-10.44	2	4	0	61	265.316	3	↓ MOL2 SDF SMILES Flexibase

52928932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-oxo-3-(1-piperidyl)propyl]cinnolin-4-one 1-[3-oxo-3-(1-piperidyl)propyl]c…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.94	7.34	-11.86	0	5	0	55	285.347	3	↓ MOL2 SDF SMILES Flexibase

52928935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-oxocinnolin-1-yl)propanamide N-(1,3-benzodioxol-5-ylmethyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.07	5.86	-15.94	1	7	0	82	351.362	5	↓ MOL2 SDF SMILES Flexibase

52929342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(2-methoxyphenyl)piperaz…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	9.21	-13.73	0	7	0	68	392.459	5	↓ MOL2 SDF SMILES Flexibase

52929732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide 2-chloro-N'-[3-(4-oxocinnolin-1-…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	6.43	-17.11	2	7	0	93	370.796	5	↓ MOL2 SDF SMILES Flexibase

52929967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxy-5-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methoxy-5-nitro-phenyl)-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	7.21	-18.57	1	9	0	119	368.349	6	↓ MOL2 SDF SMILES Flexibase

52929970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-adamantyl)-3-(4-oxocinnolin-1-yl)propanamide N-(1-adamantyl)-3-(4-oxocinnolin…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.71	8.5	-11.61	1	5	0	64	351.45	4	↓ MOL2 SDF SMILES Flexibase

52929973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide N-[4-(difluoromethylsulfanyl)phe…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.47	8.37	-16.16	1	5	0	64	375.4	6	↓ MOL2 SDF SMILES Flexibase

52930049

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-(4-phenylthiazol-2-yl)propanamide 3-(4-oxocinnolin-1-yl)-N-(4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	9.18	-16.29	1	6	0	77	376.441	5	↓ MOL2 SDF SMILES Flexibase

52930099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]cinnolin-4-one 1-[3-oxo-3-(4-phenylpiperazin-1-…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	9.41	-13.59	0	6	0	58	362.433	4	↓ MOL2 SDF SMILES Flexibase

52930302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(4-methyl-3-nitro-phenyl)-3-(4…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	8.42	-16.6	1	8	0	110	352.35	5	↓ MOL2 SDF SMILES Flexibase

52930663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(2-fluorophenyl)piperazi…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	9.92	-13.11	0	6	0	58	380.423	4	↓ MOL2 SDF SMILES Flexibase

52930668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N'-(2,4,6-trichlorophenyl)propanehydrazide 3-(4-oxocinnolin-1-yl)-N'-(2,4,6…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.13	8.52	-11.57	2	6	0	76	411.676	5	↓ MOL2 SDF SMILES Flexibase

52930771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: butyl butyl

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	10.24	-16.62	1	7	0	90	393.443	9	↓ MOL2 SDF SMILES Flexibase

52930863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-bromophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-bromophenyl)-3-(4-oxocinnol…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	7.85	-12.36	1	5	0	64	372.222	4	↓ MOL2 SDF SMILES Flexibase

52930868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-5-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2-methyl-5-nitro-phenyl)-3-(4…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	8.68	-20.85	1	8	0	110	352.35	5	↓ MOL2 SDF SMILES Flexibase

52930871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3,4-dichlorophenyl)-3-(4-oxoc…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.06	-15.38	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3-acetamidophenyl)-3-(4-oxoci…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	5.99	-19.1	2	7	0	93	350.378	5	↓ MOL2 SDF SMILES Flexibase

52931037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2,4-dichlorophenyl)-3-(4-oxoc…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.22	-12.05	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-(4-phenylphenyl)propanamide 3-(4-oxocinnolin-1-yl)-N-(4-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	10.48	-15.06	1	5	0	64	369.424	5	↓ MOL2 SDF SMILES Flexibase

52931065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(3,5-dichlorophenyl)-3-(4-oxoc…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	8.11	-13.58	1	5	0	64	362.216	4	↓ MOL2 SDF SMILES Flexibase

52931068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-benzyl-3-(4-oxocinnolin-1-yl)-N'-phenyl-propanehydrazide N'-benzyl-3-(4-oxocinnolin-1-yl)…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	11.53	-16.15	1	6	0	67	398.466	7	↓ MOL2 SDF SMILES Flexibase

52931288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide 4-chloro-N'-[3-(4-oxocinnolin-1-…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	6.43	-15.26	2	7	0	93	370.796	5	↓ MOL2 SDF SMILES Flexibase

52931613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-nitro-phenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(4-fluoro-3-nitro-phenyl)-3-(4…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	7.82	-22.9	1	8	0	110	356.313	5	↓ MOL2 SDF SMILES Flexibase

52931823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.37	7	-16.33	0	8	0	85	358.398	5	↓ MOL2 SDF SMILES Flexibase

52931825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(4-fluorophenyl)piperazi…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	9.48	-14.92	0	6	0	58	380.423	4	↓ MOL2 SDF SMILES Flexibase

52931847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxocinnolin-1-yl)-N-[4-(1-piperidyl)phenyl]propanamide 3-(4-oxocinnolin-1-yl)-N-[4-(1-p…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	9.47	-13.81	1	6	0	67	376.46	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.49	10.1	-43.1	2	6	1	68	377.468	5	↓ MOL2 SDF SMILES Flexibase

52931980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethoxyphenyl)-3-(4-oxocinnolin-1-yl)propanamide N-(2,5-dimethoxyphenyl)-3-(4-oxo…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.52	5.78	-15.42	1	7	0	82	353.378	6	↓ MOL2 SDF SMILES Flexibase

52932084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]cinnolin-4-one 1-[3-[4-(3-chlorophenyl)piperazi…

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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.27	9.92	-14.25	0	6	0	58	396.878	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5404
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 = 5404 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5404&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "5404"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations