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)	3.31	6.3	-46.26	2	4	1	44	290.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	5.33	-6.5	1	4	0	40	289.306	4	↓ MOL2 SDF SMILES Flexibase

35499357

Analogs

35499355

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-1-(5-fluoro-2-methoxy-phenyl)-N-methyl-methanamine (1R)-1-(1,3-benzodioxol-5-yl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	6.13	-45.69	2	4	1	44	290.314	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.31	5.27	-6.57	1	4	0	40	289.306	4	↓ MOL2 SDF SMILES Flexibase

35501633

Analogs

35501634

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Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1S)-1-(1,3-benzodioxol-5-yl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	7.66	-54.74	2	3	1	35	311.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.45	6.69	-6.38	1	3	0	30	310.18	3	↓ MOL2 SDF SMILES Flexibase

35501634

Analogs

35501633

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1R)-1-(1,3-benzodioxol-5-yl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	7.66	-54.29	2	3	1	35	311.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.45	6.65	-6.43	1	3	0	30	310.18	3	↓ MOL2 SDF SMILES Flexibase

35501999

Analogs

35502000

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1S)-1-(1,3-benzodioxol-5-yl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	7.59	-46.44	2	3	1	35	311.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.45	6.73	-5	1	3	0	30	310.18	3	↓ MOL2 SDF SMILES Flexibase

35502000

Analogs

35501999

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1,3-benzodioxol-5-yl)-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1R)-1-(1,3-benzodioxol-5-yl)-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	7.48	-45.7	2	3	1	35	311.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.45	6.61	-5.16	1	3	0	30	310.18	3	↓ MOL2 SDF SMILES Flexibase

11817764

Analogs

11817765
11838767
11838770

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Popular Name: (3S)-3-(1,3-benzodioxol-5-yl)-N-(2-dimethylaminoethyl)-3-phenyl-propanamide (3S)-3-(1,3-benzodioxol-5-yl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	-0.07	-45.25	2	5	1	52	341.431	7	↓ MOL2 SDF SMILES Flexibase

11817765

Analogs

11838767
11838770
11817764

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1,3-benzodioxol-5-yl)-N-(2-dimethylaminoethyl)-3-phenyl-propanamide (3R)-3-(1,3-benzodioxol-5-yl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	-0.07	-47.2	2	5	1	52	341.431	7	↓ MOL2 SDF SMILES Flexibase

11838767

Analogs

11838770
11817764
11817765

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Popular Name: (3S)-N-(2-acetamidoethyl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanamide (3S)-N-(2-acetamidoethyl)-3-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	-2.86	-15.72	2	6	0	77	354.406	7	↓ MOL2 SDF SMILES Flexibase

11838770

Analogs

11817764
11817765

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Popular Name: (3R)-N-(2-acetamidoethyl)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propanamide (3R)-N-(2-acetamidoethyl)-3-(1,3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.92	-2.88	-17.01	2	6	0	77	354.406	7	↓ MOL2 SDF SMILES Flexibase

11839560

Analogs

11839562

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	0.33	-11.14	1	6	0	74	341.363	7	↓ MOL2 SDF SMILES Flexibase

11839562

Analogs

11839560

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	0.33	-12.15	1	6	0	74	341.363	7	↓ MOL2 SDF SMILES Flexibase

20003852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-(3-chloro-5-nitro-phenyl)methanamine (S)-1,3-benzodioxol-5-yl-(3-chlo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	6.05	-72.47	3	6	1	92	307.713	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	5.72	-11.16	2	6	0	90	306.705	3	↓ MOL2 SDF SMILES Flexibase

20003855

Analogs

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Popular Name: (R)-1,3-benzodioxol-5-yl-(3-chloro-5-nitro-phenyl)methanamine (R)-1,3-benzodioxol-5-yl-(3-chlo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.36	6.05	-71.91	3	6	1	92	307.713	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.36	5.79	-9.31	2	6	0	90	306.705	3	↓ MOL2 SDF SMILES Flexibase

12027833

Analogs

12027835
12430656
12430657

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-methylprop-2-enyl)-3-phenyl-propanamide (3S)-3-(1,3-benzodioxol-5-yl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	2.27	-10.04	0	4	0	39	337.419	6	↓ MOL2 SDF SMILES Flexibase

12027835

Analogs

12430656
12430657
12027833

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-methylprop-2-enyl)-3-phenyl-propanamide (3R)-3-(1,3-benzodioxol-5-yl)-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	2.26	-11.6	0	4	0	39	337.419	6	↓ MOL2 SDF SMILES Flexibase

68852845

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(3-methoxyphenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	4.52	-8.55	1	4	0	48	337.169	3	↓ MOL2 SDF SMILES Flexibase

68852850

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(3-methoxyphenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	4.53	-8.51	1	4	0	48	337.169	3	↓ MOL2 SDF SMILES Flexibase

68852854

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-fluorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	5.3	-8.64	1	3	0	39	325.133	2	↓ MOL2 SDF SMILES Flexibase

68852857

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-fluorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	5.3	-8.58	1	3	0	39	325.133	2	↓ MOL2 SDF SMILES Flexibase

68852860

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(m-tolyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	5.9	-7.11	1	3	0	39	321.17	2	↓ MOL2 SDF SMILES Flexibase

68852863

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(m-tolyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.91	5.9	-7.12	1	3	0	39	321.17	2	↓ MOL2 SDF SMILES Flexibase

68852867

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2,3-dimethylphenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	6.19	-7.13	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852870

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2,3-dimethylphenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	6.12	-7.04	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2,3-dichlorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	5.98	-8.71	1	3	0	39	376.033	2	↓ MOL2 SDF SMILES Flexibase

68852875

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2,3-dichlorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.74	5.99	-8.62	1	3	0	39	376.033	2	↓ MOL2 SDF SMILES Flexibase

68852879

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2,5-dichlorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	6.03	-6.45	1	3	0	39	376.033	2	↓ MOL2 SDF SMILES Flexibase

68852881

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2,5-dichlorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	6.05	-6.4	1	3	0	39	376.033	2	↓ MOL2 SDF SMILES Flexibase

68852884

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(5-fluoro-2-methyl-phenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.63	-7.92	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852886

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(5-fluoro-2-methyl-phenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.72	-8.01	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852887

Analogs

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Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2,5-difluorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.36	-7.12	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2,5-difluorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.35	-7.15	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852892

Analogs

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Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(3,4-difluorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.35	-10.79	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(3,4-difluorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.35	-10.64	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(5-chloro-2-methoxy-phenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	5.16	-7.37	1	4	0	48	371.614	3	↓ MOL2 SDF SMILES Flexibase

68852921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(5-chloro-2-methoxy-phenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	5.13	-7.42	1	4	0	48	371.614	3	↓ MOL2 SDF SMILES Flexibase

68852922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-fluoro-2-methyl-phenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.63	-8.29	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-fluoro-2-methyl-phenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.72	-8.26	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2,4-difluorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.36	-8.24	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852931

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2,4-difluorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.74	5.35	-8.24	1	3	0	39	343.123	2	↓ MOL2 SDF SMILES Flexibase

68852938

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(3,5-dimethylphenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.56	-7.12	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(3,5-dimethylphenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.56	-7.07	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-chlorophenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	5.75	-7.93	1	3	0	39	341.588	2	↓ MOL2 SDF SMILES Flexibase

68852947

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-chlorophenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.16	5.75	-7.86	1	3	0	39	341.588	2	↓ MOL2 SDF SMILES Flexibase

68852953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(3,4-dimethylphenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.46	-7.2	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(3,4-dimethylphenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.31	6.45	-7.2	1	3	0	39	335.197	2	↓ MOL2 SDF SMILES Flexibase

68852956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(2-fluoro-5-methyl-phenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.95	-7.57	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(2-fluoro-5-methyl-phenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.03	5.96	-7.54	1	3	0	39	339.16	2	↓ MOL2 SDF SMILES Flexibase

68852961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-(4-isopropylphenyl)methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.00	7.16	-6.87	1	3	0	39	349.224	3	↓ MOL2 SDF SMILES Flexibase

68852964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-(4-isopropylphenyl)methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.00	7.16	-6.83	1	3	0	39	349.224	3	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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