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)	5.78	14.39	-36.83	1	5	1	47	458.607	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.78	12.32	-12.28	0	5	0	46	457.599	7	↓ MOL2 SDF SMILES Flexibase

36642072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(6-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)	5.07	13.11	-62.37	1	6	1	56	460.579	6	↓ MOL2 SDF SMILES Flexibase

36642073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(6-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)	5.82	14.03	-54.17	1	6	1	56	488.633	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.82	12.06	-15.14	0	6	0	55	487.625	8	↓ MOL2 SDF SMILES Flexibase

36642074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(6-et…

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)	5.44	14.03	-62.39	1	6	1	56	474.606	7	↓ MOL2 SDF SMILES Flexibase

36642075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(6-eth…

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)	6.19	15.34	-58.19	1	6	1	56	502.66	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	13.31	-13.71	0	6	0	55	501.652	9	↓ MOL2 SDF SMILES Flexibase

36642076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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	-60.25	1	5	1	47	464.998	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.69	11.91	-13.62	0	5	0	46	463.99	5	↓ MOL2 SDF SMILES Flexibase

36642077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-9H-xanthene-9-carboxamide N-(6-chloro-1,3-benzothiazol-2-y…

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)	6.44	15.63	-57.1	1	5	1	47	493.052	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.44	13.29	-12.48	0	5	0	46	492.044	7	↓ MOL2 SDF SMILES Flexibase

36642078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(6-fl…

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)	5.17	13.97	-60.94	1	5	1	47	448.543	5	↓ MOL2 SDF SMILES Flexibase

36642079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(6-flu…

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)	5.92	14.81	-53.43	1	5	1	47	476.597	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.92	13.17	-11.59	0	5	0	46	475.589	7	↓ MOL2 SDF SMILES Flexibase

36642080

Analogs

60229142

Draw Identity 99% 90% 80% 70%

Popular Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(6-bromo-1,3-benzothiazol-2-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)	5.82	14.53	-60.19	1	5	1	47	509.449	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.82	12.01	-13.5	0	5	0	46	508.441	5	↓ MOL2 SDF SMILES Flexibase

36642081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(4-et…

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)	5.42	14.29	-71.5	1	6	1	56	474.606	7	↓ MOL2 SDF SMILES Flexibase

36642082

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4-eth…

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)	6.17	15.03	-62.75	1	6	1	56	502.66	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.17	13.22	-23.36	0	6	0	55	501.652	9	↓ MOL2 SDF SMILES Flexibase

36642083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(4-fl…

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)	5.15	13.98	-56.81	1	5	1	47	448.543	5	↓ MOL2 SDF SMILES Flexibase

36642084

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4-flu…

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	14.46	-36.55	1	5	1	47	476.597	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.90	12.39	-14.31	0	5	0	46	475.589	7	↓ MOL2 SDF SMILES Flexibase

36642085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(4,6-difluoro-1,3-benzothiazol…

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)	5.26	14.05	-56.92	1	5	1	47	466.533	5	↓ MOL2 SDF SMILES Flexibase

36642086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4,6-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)	6.01	14.88	-50.12	1	5	1	47	494.587	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.01	13.23	-10.73	0	5	0	46	493.579	7	↓ MOL2 SDF SMILES Flexibase

36642087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(5,7-…

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)	5.83	15.12	-58.78	1	5	1	47	458.607	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.83	12.8	-15.62	0	5	0	46	457.599	5	↓ MOL2 SDF SMILES Flexibase

36642088

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(5,7-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)	6.58	16.42	-55.46	1	5	1	47	486.661	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.58	14.4	-13.58	0	5	0	46	485.653	7	↓ MOL2 SDF SMILES Flexibase

36642089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(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)	5.83	15.37	-67.66	1	5	1	47	458.607	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.83	13.08	-19.24	0	5	0	46	457.599	5	↓ MOL2 SDF SMILES Flexibase

36642090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4,6-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)	6.58	16.18	-58.75	1	5	1	47	486.661	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.58	14.56	-16.89	0	5	0	46	485.653	7	↓ MOL2 SDF SMILES Flexibase

36642091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(4,7-dimethoxy-1,3-benzothiazo…

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)	5.05	12.46	-60.96	1	7	1	65	490.605	7	↓ MOL2 SDF SMILES Flexibase

36642092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4,7-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)	5.80	13.67	-57.79	1	7	1	65	518.659	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.80	11.66	-17.94	0	7	0	64	517.651	9	↓ MOL2 SDF SMILES Flexibase

36642093

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(4-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)	5.44	13.77	-58.07	1	6	1	56	474.606	6	↓ MOL2 SDF SMILES Flexibase

36642094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4-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)	6.19	15.07	-54.85	1	6	1	56	502.66	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	13.03	-16.09	0	6	0	55	501.652	8	↓ MOL2 SDF SMILES Flexibase

36642095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(7-chloro-4-methyl-1,3-benzoth…

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)	6.06	15.24	-66.23	1	5	1	47	479.025	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.06	12.78	-17.62	0	5	0	46	478.017	5	↓ MOL2 SDF SMILES Flexibase

36642096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-9H-xanthene-9-carboxamide N-(7-chloro-4-methyl-1,3-benzoth…

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)	6.81	17.29	-40.77	1	5	1	47	507.079	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.81	15.13	-10.92	0	5	0	46	506.071	7	↓ MOL2 SDF SMILES Flexibase

36642097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-dimethylaminoethyl)-N-(4,5-…

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)	5.83	15.32	-67.48	1	5	1	47	458.607	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.83	12.99	-19.65	0	5	0	46	457.599	5	↓ MOL2 SDF SMILES Flexibase

36642098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide N-(2-diethylaminoethyl)-N-(4,5-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)	6.58	16.58	-63.92	1	5	1	47	486.661	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.58	14.44	-17.32	0	5	0	46	485.653	7	↓ MOL2 SDF SMILES Flexibase

36642099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(5-chloro-4-methyl-1,3-benzoth…

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)	6.06	15.17	-69.75	1	5	1	47	479.025	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.06	12.69	-18.14	0	5	0	46	478.017	5	↓ MOL2 SDF SMILES Flexibase

36642100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-9H-xanthene-9-carboxamide N-(5-chloro-4-methyl-1,3-benzoth…

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)	6.81	15.95	-60.71	1	5	1	47	507.079	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.81	14.14	-17.71	0	5	0	46	506.071	7	↓ MOL2 SDF SMILES Flexibase

36642101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-9H-xanthene-9-carboxamide N-(7-chloro-4-methoxy-1,3-benzot…

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)	5.67	13.89	-69.21	1	6	1	56	495.024	6	↓ MOL2 SDF SMILES Flexibase

36642102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-9H-xanthene-9-carboxamide N-(7-chloro-4-methoxy-1,3-benzot…

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)	6.42	15.11	-65.76	1	6	1	56	523.078	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.42	12.78	-21.09	0	6	0	55	522.07	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 107772
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 = 107772 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=107772&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": "107772"        

    });
</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