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)	2.26	9.82	-19.94	0	8	0	89	398.426	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.26	10.29	-39.96	1	8	1	91	399.434	5	↓ MOL2 SDF SMILES Flexibase

36635165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(7-ethyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-fluoro-N-(2-furylmethyl)benzamide N-[(7-ethyltetrazolo[1,5-a]quino…

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)	3.63	11.86	-13.52	0	7	0	77	429.455	6	↓ MOL2 SDF SMILES Flexibase

1376715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-4-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-4-methyl-N-[(9-met…

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)	4.20	3.15	-21.33	0	6	0	63	399.498	4	↓ MOL2 SDF SMILES Flexibase

1376716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-3-methoxy-N-[(9-me…

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)	3.78	2.19	-20.86	0	7	0	72	415.497	5	↓ MOL2 SDF SMILES Flexibase

1376718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-2-fluoro-N-[(9-met…

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)	3.86	2.93	-30.31	0	6	0	63	403.461	4	↓ MOL2 SDF SMILES Flexibase

1376719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-4-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-4-fluoro-N-[(9-met…

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)	3.91	3.57	-20.26	0	6	0	63	403.461	4	↓ MOL2 SDF SMILES Flexibase

1376720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-4-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-4-methoxy-N-[(9-me…

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)	3.80	2.87	-21.75	0	7	0	72	415.497	5	↓ MOL2 SDF SMILES Flexibase

1376721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-phenyl-urea 1-cyclopentyl-1-[(9-methyltetraz…

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)	4.53	2.25	-12.13	1	7	0	75	400.486	4	↓ MOL2 SDF SMILES Flexibase

1376722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-3-(o-tolyl)urea 1-cyclopentyl-1-[(9-methyltetraz…

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)	4.93	2.22	-23.85	1	7	0	75	414.513	4	↓ MOL2 SDF SMILES Flexibase

1376723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-benzyl-1-cyclopentyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea 3-benzyl-1-cyclopentyl-1-[(9-met…

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)	4.79	1.77	-25.55	1	7	0	75	414.513	5	↓ MOL2 SDF SMILES Flexibase

1376724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-(2-fluorophenyl)-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea 1-cyclopentyl-3-(2-fluorophenyl)…

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)	4.65	3.02	-12.04	1	7	0	75	418.476	4	↓ MOL2 SDF SMILES Flexibase

1376725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiophene-2-carboxamide N-cyclopentyl-N-[(9-methyltetraz…

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)	4.12	2.05	-24.47	0	6	0	63	391.5	4	↓ MOL2 SDF SMILES Flexibase

1376726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-2-methyl-N-[(9-met…

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)	4.15	2.7	-16.13	0	6	0	63	399.498	4	↓ MOL2 SDF SMILES Flexibase

1376727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3-methyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-3-methyl-N-[(9-met…

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)	4.17	2.5	-18.02	0	6	0	63	399.498	4	↓ MOL2 SDF SMILES Flexibase

1376728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-3-fluoro-N-[(9-met…

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)	3.89	2.91	-14.96	0	6	0	63	403.461	4	↓ MOL2 SDF SMILES Flexibase

1376729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3,5-dimethoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-3,5-dimethoxy-N-[(…

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)	3.79	2.63	-17.68	0	8	0	82	445.523	6	↓ MOL2 SDF SMILES Flexibase

1376730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3,4-dimethoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-cyclopentyl-3,4-dimethoxy-N-[(…

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)	3.39	2.91	-21.6	0	8	0	82	445.523	6	↓ MOL2 SDF SMILES Flexibase

1376731

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzenesulfonamide N-cyclopentyl-N-[(9-methyltetraz…

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)	4.09	-0.96	-19.11	0	7	0	80	421.526	5	↓ MOL2 SDF SMILES Flexibase

1376733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyrazinecarboxamide, N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]- (9CI) Pyrazinecarboxamide, N-cyclopent…

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)	2.75	1.86	-21.92	0	8	0	89	387.447	4	↓ MOL2 SDF SMILES Flexibase

1376734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-furamide N-cyclopentyl-N-[(9-methyltetraz…

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)	3.48	2.97	-17.77	0	7	0	76	375.432	4	↓ MOL2 SDF SMILES Flexibase

1376735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide N-cyclopentyl-2-methoxy-N-[(9-me…

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	2.11	-12.57	0	7	0	72	353.426	5	↓ MOL2 SDF SMILES Flexibase

1376736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide N-cyclopentyl-N-[(9-methyltetraz…

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)	3.55	2.16	-10.93	0	6	0	63	363.465	4	↓ MOL2 SDF SMILES Flexibase

1376737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide N-cyclopentyl-2,2,2-trifluoro-N-…

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)	3.43	3.92	-22.28	0	6	0	63	377.37	4	↓ MOL2 SDF SMILES Flexibase

1376738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-3,3-dimethyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]butyramide N-cyclopentyl-3,3-dimethyl-N-[(9…

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)	4.48	3.3	-9.69	0	6	0	63	379.508	5	↓ MOL2 SDF SMILES Flexibase

1376739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclohexyl-3,3-dimethyl-1-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea 1-cyclohexyl-3,3-dimethyl-1-[(9-…

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)	3.20	2.56	-22.77	0	7	0	66	366.469	3	↓ MOL2 SDF SMILES Flexibase

1376740

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	3.43	-0.3	-14.4	0	8	0	75	408.506	3	↓ MOL2 SDF SMILES Flexibase

1376741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]thiophene-2-carboxamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	4.62	2.12	-14.89	0	6	0	63	405.527	4	↓ MOL2 SDF SMILES Flexibase

1376742

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	3.88	2.23	-19.09	0	6	0	63	363.465	4	↓ MOL2 SDF SMILES Flexibase

1376743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]nicotinamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	3.02	0.23	-25.36	0	7	0	76	400.486	4	↓ MOL2 SDF SMILES Flexibase

1376744

Analogs

39981351

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]isonicotinamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	2.96	1.48	-25.44	0	7	0	76	400.486	4	↓ MOL2 SDF SMILES Flexibase

1376745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Pyrazinecarboxamide, N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]- (9CI) Pyrazinecarboxamide, N-cyclohexy…

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)	3.26	2.16	-22.86	0	8	0	89	401.474	4	↓ MOL2 SDF SMILES Flexibase

1376746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-2-furamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	3.98	3.14	-22.49	0	7	0	76	389.459	4	↓ MOL2 SDF SMILES Flexibase

1376747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]propionamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	3.89	2.46	-19.9	0	6	0	63	351.454	4	↓ MOL2 SDF SMILES Flexibase

1376748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide N-cyclohexyl-2-methoxy-N-[(9-met…

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)	3.00	2.21	-25.52	0	7	0	72	367.453	5	↓ MOL2 SDF SMILES Flexibase

1376749

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclobutanecarboxamide N-cyclohexyl-N-[(9-methyltetrazo…

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)	4.05	2.48	-21.27	0	6	0	63	377.492	4	↓ MOL2 SDF SMILES Flexibase

1376750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide N-cyclohexyl-2,2,2-trifluoro-N-[…

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)	3.94	3.94	-22.34	0	6	0	63	391.397	4	↓ MOL2 SDF SMILES Flexibase

1376751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-3-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-benzyl-3-methoxy-N-[(9-methylt…

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)	3.78	2.94	-27.58	0	7	0	73	437.503	6	↓ MOL2 SDF SMILES Flexibase

1376752

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]morpholine-4-carboxamide N-benzyl-N-[(9-methyltetrazolo[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)	2.92	0.61	-23.78	0	8	0	75	416.485	4	↓ MOL2 SDF SMILES Flexibase

1376754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-4-fluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-benzyl-4-fluoro-N-[(9-methylte…

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)	3.91	3.66	-22.76	0	6	0	63	425.467	5	↓ MOL2 SDF SMILES Flexibase

1376755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-4-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-benzyl-4-methoxy-N-[(9-methylt…

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)	3.80	2.96	-24.77	0	7	0	73	437.503	6	↓ MOL2 SDF SMILES Flexibase

1376756

Analogs

4879189
39981320
39981335

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]cyclopropanecarboxamide N-benzyl-N-[(9-methyltetrazolo[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)	3.37	2.7	-11.78	0	6	0	63	371.444	5	↓ MOL2 SDF SMILES Flexibase

1376757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-methoxy-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzamide N-benzyl-2-methoxy-N-[(9-methylt…

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)	4.30	3.34	-26.65	0	7	0	73	437.503	6	↓ MOL2 SDF SMILES Flexibase

1376758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]benzenesulfonamide N-benzyl-N-[(9-methyltetrazolo[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)	4.09	-0.83	-21.4	0	7	0	80	443.532	6	↓ MOL2 SDF SMILES Flexibase

1376760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]nicotinamide N-benzyl-N-[(9-methyltetrazolo[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)	2.51	2	-22.79	0	7	0	76	408.465	5	↓ MOL2 SDF SMILES Flexibase

1376761

Analogs

12493427

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]isonicotinamide N-benzyl-N-[(9-methyltetrazolo[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)	2.46	2.15	-23.42	0	7	0	76	408.465	5	↓ MOL2 SDF SMILES Flexibase

1376762

Analogs

39981337

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]propionamide N-benzyl-N-[(9-methyltetrazolo[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)	3.38	3	-11.47	0	6	0	63	359.433	5	↓ MOL2 SDF SMILES Flexibase

1376763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2,2,2-trifluoro-N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]acetamide N-benzyl-2,2,2-trifluoro-N-[(9-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	4.41	-10.43	0	6	0	63	399.376	5	↓ MOL2 SDF SMILES Flexibase

1376764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfon N-[(9-methyltetrazolo[1,5-a]quin…

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)	3.07	8.37	-17.87	0	8	0	90	437.525	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 100958
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 = 100958 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=100958&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": "100958"        

    });
</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