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)	2.70	8.39	-24.81	1	10	0	119	442.453	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	6.26	-43.18	0	10	-1	125	441.445	4	↓ MOL2 SDF SMILES Flexibase

21527502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.77	7.36	-13.11	1	5	0	60	380.347	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.83	6.46	-39.72	0	5	-1	67	379.339	3	↓ MOL2 SDF SMILES Flexibase

21527550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1H-benzotriazole-5-carboxamide N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	2.20	3.53	-21.29	2	8	0	102	353.363	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	3.4	-44.95	1	8	-1	100	352.355	2	↓ MOL2 SDF SMILES Flexibase

21527769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-acetyl-5-methyl-2-furyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide 3-(4-acetyl-5-methyl-2-furyl)-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)	2.54	7.37	-17.95	1	7	0	91	386.429	5	↓ MOL2 SDF SMILES Flexibase

21527781

Analogs

36633420

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methyl-pyrrole-2-carboxamide 4-chloro-N-(6,7-dihydro-[1,4]dio…

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)	2.70	6.32	-12.05	1	6	0	65	349.799	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.77	5.27	-43.37	0	6	-1	72	348.791	2	↓ MOL2 SDF SMILES Flexibase

21532113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazo N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	2.33	5.02	-21.38	1	9	0	108	428.401	4	↓ MOL2 SDF SMILES Flexibase

12226885

Analogs

10066918

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3-(3-nitrophe (E)-N-(6,7-dihydro-[1,4]dioxino[…

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)	3.72	1.25	-78.2	1	9	1	102	455.516	7	↓ MOL2 SDF SMILES Flexibase

12226892

Analogs

36637526
36638126
10066922

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoethyl)thiophene 5-chloro-N-(6,7-dihydro-[1,4]dio…

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)	3.85	-0.57	-57.76	1	6	1	56	424.955	5	↓ MOL2 SDF SMILES Flexibase

36637499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(diethylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoeth 4-(diethylsulfamoyl)-N-(6,7-dihy…

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)	3.21	9.46	-54.85	1	9	1	93	519.669	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	7	-14.43	0	9	0	92	518.661	9	↓ MOL2 SDF SMILES Flexibase

36637500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-2-(2-thienyl)quin N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	5.06	12.99	-43.48	1	7	1	69	517.656	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.06	10.6	-12.14	0	7	0	68	516.648	6	↓ MOL2 SDF SMILES Flexibase

36637501

Analogs

10065992
10066913

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-3,4,5-triethoxy-b N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.90	11.94	-47.04	1	9	1	84	516.64	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.90	9.53	-11.6	0	9	0	83	515.632	11	↓ MOL2 SDF SMILES Flexibase

36638103

Analogs

10065985
5121469

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-phenyl-benzamide N-(2-diethylaminoethyl)-N-(6,7-d…

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)	5.69	14.43	-49.48	1	6	1	56	488.633	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.69	12.4	-11.6	0	6	0	55	487.625	8	↓ MOL2 SDF SMILES Flexibase

36638104

Analogs

9604064

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(dimethylsulfamo N-(2-diethylaminoethyl)-N-(6,7-d…

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)	3.21	9.02	-52.18	1	9	1	93	519.669	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	6.65	-14.2	0	9	0	92	518.661	9	↓ MOL2 SDF SMILES Flexibase

36638105

Analogs

10066014
10066013

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-pentoxy-benzamid N-(2-diethylaminoethyl)-N-(6,7-d…

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)	5.87	13.25	-48.77	1	7	1	65	498.669	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.87	11.57	-10.11	0	7	0	64	497.661	12	↓ MOL2 SDF SMILES Flexibase

36638106

Analogs

10066016
10066915

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-pentoxy-benzamid N-(2-diethylaminoethyl)-N-(6,7-d…

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)	5.90	13.56	-49.16	1	7	1	65	498.669	12	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	11.08	-10.51	0	7	0	64	497.661	12	↓ MOL2 SDF SMILES Flexibase

36638107

Analogs

10066019
12140819

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide 4-benzyl-N-(2-diethylaminoethyl)…

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)	5.86	15.48	-50.28	1	6	1	56	502.66	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.86	13.11	-11.38	0	6	0	55	501.652	9	↓ MOL2 SDF SMILES Flexibase

36638108

Analogs

10066028

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,6-difluoro-benza N-(2-diethylaminoethyl)-N-(6,7-d…

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)	4.13	11.43	-44.31	1	6	1	56	448.515	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.13	9.28	-15.15	0	6	0	55	447.507	7	↓ MOL2 SDF SMILES Flexibase

36643549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-cyano-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzami 4-cyano-N-(6,7-dihydro-[1,4]diox…

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)	3.17	10.91	-55.86	1	7	1	80	423.518	6	↓ MOL2 SDF SMILES Flexibase

36643550

Analogs

36643579
9832411
36643212
10066001

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-phenyl-quino N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	5.54	14.81	-45.03	1	7	1	69	525.654	7	↓ MOL2 SDF SMILES Flexibase

36643551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamin 2-(2,4-dichlorophenoxy)-N-(6,7-d…

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)	4.67	12.62	-63.23	1	7	1	65	497.424	8	↓ MOL2 SDF SMILES Flexibase

36643552

Analogs

10068207

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzam 4-benzyl-N-(6,7-dihydro-[1,4]dio…

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)	5.38	14.97	-54.86	1	6	1	56	488.633	8	↓ MOL2 SDF SMILES Flexibase

36643553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(1-naphthyl) N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	4.67	13.85	-56.06	1	6	1	56	462.595	7	↓ MOL2 SDF SMILES Flexibase

36643554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,6-difluoro-b N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.65	10.84	-49.07	1	6	1	56	434.488	6	↓ MOL2 SDF SMILES Flexibase

36643555

Analogs

10068208
10068253

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3,4,5-triethox N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	4.17	12.7	-46.9	1	9	1	84	530.667	12	↓ MOL2 SDF SMILES Flexibase

36643556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)pr 3-(benzenesulfonyl)-N-(6,7-dihyd…

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)	1.80	9.54	-54.92	1	8	1	90	490.627	9	↓ MOL2 SDF SMILES Flexibase

13014408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide 2-(1,3-benzoxazol-2-ylsulfanyl)-…

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)	3.30	4.72	-15.33	1	7	0	86	399.453	4	↓ MOL2 SDF SMILES Flexibase

37104553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxo-ethyl]-2,2-dimethyl-propanam N-[2-(6,7-dihydro-[1,4]dioxino[2…

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)	2.66	4.18	-15.5	2	7	0	90	349.412	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.48	2.83	-47.24	1	7	-1	96	348.404	4	↓ MOL2 SDF SMILES Flexibase

13792969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonyl-piperidine-2-carboxa (2R)-N-(6,7-dihydro-[1,4]dioxino…

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)	1.46	4.13	-19.54	1	8	0	98	397.478	3	↓ MOL2 SDF SMILES Flexibase

13792971

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-methylsulfonyl-piperidine-2-carboxa (2S)-N-(6,7-dihydro-[1,4]dioxino…

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)	1.46	3.77	-16.68	1	8	0	98	397.478	3	↓ MOL2 SDF SMILES Flexibase

14226947

Analogs

36633420

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyrazine-2-carboxamide N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	1.40	2.82	-11.93	1	7	0	86	314.326	2	↓ MOL2 SDF SMILES Flexibase

14239357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-2-oxo-ethyl]-5-methyl-thiophene-2- N-[2-(6,7-dihydro-[1,4]dioxino[2…

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	4.71	-13.87	2	7	0	90	389.458	4	↓ MOL2 SDF SMILES Flexibase

14255308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-oxo-propyl]-3-methyl-benzamide N-[3-(6,7-dihydro-[1,4]dioxino[2…

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)	2.67	6.19	-22.75	2	7	0	90	397.456	5	↓ MOL2 SDF SMILES Flexibase

55018483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.16	1.53	-16.65	2	8	0	99	323.33	4	↓ MOL2 SDF SMILES Flexibase

55018546

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxy-propanamide (2S)-N-(6,7-dihydro-[1,4]dioxino…

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)	1.50	4.46	-18.83	1	6	0	70	294.332	3	↓ MOL2 SDF SMILES Flexibase

55018548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxy-propanamide (2R)-N-(6,7-dihydro-[1,4]dioxino…

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)	1.50	4.48	-18.85	1	6	0	70	294.332	3	↓ MOL2 SDF SMILES Flexibase

65576514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(2-hydroxyphenyl)acetamide N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	2.90	4.63	-16.51	2	6	0	81	342.376	3	↓ MOL2 SDF SMILES Flexibase

37108983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-2-carboxamide 4-chloro-N-(6,7-dihydro-[1,4]dio…

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	5.51	-14.14	1	6	0	73	347.783	2	↓ MOL2 SDF SMILES Flexibase

38139115

Analogs

60232516

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethyla 4-[benzyl(ethyl)sulfamoyl]-N-(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)	4.50	13.33	-61.11	1	9	1	93	595.767	11	↓ MOL2 SDF SMILES Flexibase

38139133

Analogs

60232396
60232461
60232502
60232506

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(azepan-1-ylsulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamin 4-(azepan-1-ylsulfonyl)-N-(6,7-d…

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)	4.14	11.43	-56.6	1	9	1	93	559.734	8	↓ MOL2 SDF SMILES Flexibase

38139141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-[(2S,6R)-2,6 N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.30	9.6	-60.69	1	10	1	103	575.733	8	↓ MOL2 SDF SMILES Flexibase

38139142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-[(2S,6S)-2,6 N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.30	9.6	-60.72	1	10	1	103	575.733	8	↓ MOL2 SDF SMILES Flexibase

38139143

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-[(2R,6R)-2,6 N-(6,7-dihydro-[1,4]dioxino[2,3-…

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)	3.30	9.61	-57.85	1	10	1	103	575.733	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6507
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 = 6507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6507&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": "6507"        

    });
</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