ZINC 12

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ZINC Item

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36637349

Analogs

36637491
5121885
5115303

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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)	6.04	13.4	-38.71	1	5	1	47	452.987	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.04	10.8	-8.34	0	5	0	46	451.979	7	↓ MOL2 SDF SMILES Flexibase

36637365

Analogs

36690296
10461329
10066580

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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)	6.18	13.5	-38.69	1	5	1	47	497.438	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.18	10.9	-8.15	0	5	0	46	496.43	7	↓ MOL2 SDF SMILES Flexibase

36637396

Analogs

36637930
36707906

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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)	6.28	14.38	-37.63	1	5	1	47	446.596	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.28	11.91	-9.54	0	5	0	46	445.588	8	↓ MOL2 SDF SMILES Flexibase

36637491

Analogs

36637845
36638086
36707774
36637349

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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)	6.02	13.29	-38.5	1	5	1	47	452.987	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.02	10.81	-11.44	0	5	0	46	451.979	7	↓ MOL2 SDF SMILES Flexibase

36637595

Analogs

36638216

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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)	6.19	14.9	-60.79	1	5	1	47	446.596	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	12.31	-17.05	0	5	0	46	445.588	7	↓ MOL2 SDF SMILES Flexibase

36637628

Analogs

36640350

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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)	6.19	15.01	-60.4	1	5	1	47	446.596	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	12.42	-16.71	0	5	0	46	445.588	7	↓ MOL2 SDF SMILES Flexibase

36637658

Analogs

36640415
36710459

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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)	6.19	14.26	-37.84	1	5	1	47	446.596	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.19	12.29	-12.13	0	5	0	46	445.588	7	↓ MOL2 SDF SMILES Flexibase

36637731

Analogs

10460993

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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)	6.57	14.85	-35.63	1	5	1	47	460.623	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.57	12.75	-9.82	0	5	0	46	459.615	9	↓ MOL2 SDF SMILES Flexibase

36637753

Analogs

36707944
10461081

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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)	6.18	13.49	-36.75	1	6	1	56	476.622	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.18	11.06	-10.09	0	6	0	55	475.614	10	↓ MOL2 SDF SMILES Flexibase

36637777

Analogs

10461160

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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)	6.55	14.41	-36.57	1	6	1	56	490.649	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.55	12.31	-9.75	0	6	0	55	489.641	11	↓ MOL2 SDF SMILES Flexibase

36637810

Analogs

36710330
10461228

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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)	6.28	14.27	-36.64	1	5	1	47	464.586	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.28	12.16	-8.34	0	5	0	46	463.578	9	↓ MOL2 SDF SMILES Flexibase

36637845

Analogs

5121885
5115303

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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)	6.80	14.71	-36.28	1	5	1	47	481.041	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.80	12.29	-8.08	0	5	0	46	480.033	9	↓ MOL2 SDF SMILES Flexibase

36637881

Analogs

36690296
10461329
10066580

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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)	6.93	14.8	-36.25	1	5	1	47	525.492	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.93	12.39	-7.85	0	5	0	46	524.484	9	↓ MOL2 SDF SMILES Flexibase

36637930

Analogs

36637396

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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)	7.03	16.23	-50.05	1	5	1	47	474.65	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	7.03	14.13	-11.15	0	5	0	46	473.642	10	↓ MOL2 SDF SMILES Flexibase

36637968

Analogs

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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)	6.54	15.77	-55.99	1	5	1	47	460.623	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.54	13.32	-15.69	0	5	0	46	459.615	9	↓ MOL2 SDF SMILES Flexibase

36637992

Analogs

10065797

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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)	6.15	15.15	-40.71	1	6	1	56	476.622	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.15	12.73	-11.65	0	6	0	55	475.614	10	↓ MOL2 SDF SMILES Flexibase

36638018

Analogs

36707736
10065840

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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)	6.53	15.95	-40.31	1	6	1	56	490.649	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.53	13.54	-11.36	0	6	0	55	489.641	11	↓ MOL2 SDF SMILES Flexibase

36638050

Analogs

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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)	6.26	14.28	-37.38	1	5	1	47	464.586	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.26	12.13	-12.62	0	5	0	46	463.578	9	↓ MOL2 SDF SMILES Flexibase

36638086

Analogs

36637491

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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)	6.77	14.74	-36.62	1	5	1	47	481.041	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.77	12.63	-11.25	0	5	0	46	480.033	9	↓ MOL2 SDF SMILES Flexibase

36638141

Analogs

10066070

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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)	5.77	13.39	-38.68	1	7	1	65	506.648	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.77	11.3	-10.72	0	7	0	64	505.64	11	↓ MOL2 SDF SMILES Flexibase

36638175

Analogs

36707832
10066110

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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)	6.18	15.08	-42.37	1	6	1	56	476.622	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.18	12.68	-10.62	0	6	0	55	475.614	10	↓ MOL2 SDF SMILES Flexibase

36638216

Analogs

36637595

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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)	6.94	16.17	-58.05	1	5	1	47	474.65	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.94	13.88	-15.61	0	5	0	46	473.642	9	↓ MOL2 SDF SMILES Flexibase

36640350

Analogs

36637628

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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)	6.94	16.28	-57.72	1	5	1	47	474.65	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.94	13.97	-15.23	0	5	0	46	473.642	9	↓ MOL2 SDF SMILES Flexibase

36640415

Analogs

36637658

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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)	6.94	15.5	-35.51	1	5	1	47	474.65	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.94	13.08	-9.86	0	5	0	46	473.642	9	↓ MOL2 SDF SMILES Flexibase

36640476

Analogs

10066262

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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)	6.55	14.13	-36.73	1	6	1	56	490.649	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.55	12.04	-13.13	0	6	0	55	489.641	10	↓ MOL2 SDF SMILES Flexibase

36640513

Analogs

36710582
10066314

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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)	6.16	12.75	-37.97	1	7	1	65	506.648	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.16	10.64	-13.81	0	7	0	64	505.64	11	↓ MOL2 SDF SMILES Flexibase

36640559

Analogs

10066362

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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)	6.37	14.34	-36.65	1	5	1	47	482.576	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.37	11.93	-8.85	0	5	0	46	481.568	9	↓ MOL2 SDF SMILES Flexibase

36643235

Analogs

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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)	5.69	12.83	-40.04	1	6	1	56	462.595	9	↓ MOL2 SDF SMILES Flexibase

36643270

Analogs

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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)	6.07	14.47	-55.89	1	6	1	56	476.622	10	↓ MOL2 SDF SMILES Flexibase

36643317

Analogs

36706025
5122286
10067681

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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)	6.32	14.06	-39.15	1	5	1	47	467.014	8	↓ MOL2 SDF SMILES Flexibase

36643348

Analogs

36690325
36706036
12140946
10067724

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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)	6.45	14.16	-39.13	1	5	1	47	511.465	8	↓ MOL2 SDF SMILES Flexibase

36643386

Analogs

5122306

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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)	6.55	15.69	-53.97	1	5	1	47	460.623	9	↓ MOL2 SDF SMILES Flexibase

36643417

Analogs

4359677

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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)	6.06	15.2	-61.69	1	5	1	47	446.596	8	↓ MOL2 SDF SMILES Flexibase

36643459

Analogs

36705090
36707736

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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)	6.05	14.66	-65.85	1	6	1	56	476.622	10	↓ MOL2 SDF SMILES Flexibase

36643519

Analogs

36643523
36705113
5122430
12140996

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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)	6.29	14.23	-40.35	1	5	1	47	467.014	8	↓ MOL2 SDF SMILES Flexibase

36643630

Analogs

36707832

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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)	5.69	14.47	-44.51	1	6	1	56	462.595	9	↓ MOL2 SDF SMILES Flexibase

36643662

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5122530

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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)	6.46	15.72	-61.65	1	5	1	47	460.623	8	↓ MOL2 SDF SMILES Flexibase

36643703

Analogs

5122561

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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)	6.46	15.84	-61.53	1	5	1	47	460.623	8	↓ MOL2 SDF SMILES Flexibase

36643744

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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)	6.46	15.56	-53.82	1	5	1	47	460.623	8	↓ MOL2 SDF SMILES Flexibase

36643766

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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)	6.07	14.21	-56.1	1	6	1	56	476.622	9	↓ MOL2 SDF SMILES Flexibase

36643801

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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)	5.89	13.69	-39.58	1	5	1	47	468.549	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 103003
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 = 103003 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=103003&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": "103003"        

    });
</script>

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