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)	3.18	4.65	-9.19	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.18	5.46	-30.72	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35626286

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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)	3.18	4.68	-9.28	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.18	5.49	-30.65	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35626383

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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)	1.98	4.26	-7.04	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35626384

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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)	1.98	4.23	-7.02	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35626681

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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)	1.57	4.11	-9.13	1	4	0	52	259.305	5	↓ MOL2 SDF SMILES Flexibase

35626682

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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)	1.57	4.08	-9.15	1	4	0	52	259.305	5	↓ MOL2 SDF SMILES Flexibase

35626991

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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)	3.14	4.77	-8.43	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	5.5	-32.51	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35626993

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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)	3.14	4.79	-8.25	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	5.51	-32.54	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35627134

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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)	1.94	4.37	-6.74	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35627135

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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)	1.94	4.36	-6.71	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35627448

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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)	2.85	5.79	-6.85	1	3	0	42	257.333	6	↓ MOL2 SDF SMILES Flexibase

35627449

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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)	2.85	5.79	-6.7	1	3	0	42	257.333	6	↓ MOL2 SDF SMILES Flexibase

35627735

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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)	3.16	4.64	-8.8	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.16	5.46	-30.37	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35627736

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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)	3.16	4.68	-8.71	1	4	0	52	287.359	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.16	5.5	-30.48	2	4	1	53	288.367	5	↓ MOL2 SDF SMILES Flexibase

35627849

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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)	1.96	4.26	-6.93	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35627850

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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)	1.96	4.23	-6.95	1	3	0	42	229.279	4	↓ MOL2 SDF SMILES Flexibase

35628375

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	5.19	-6.44	1	3	0	42	243.306	5	↓ MOL2 SDF SMILES Flexibase

35628376

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	5.16	-6.46	1	3	0	42	243.306	5	↓ MOL2 SDF SMILES Flexibase

35629155

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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)	2.76	5.51	-8.92	1	4	0	55	256.305	4	↓ MOL2 SDF SMILES Flexibase

35629440

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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)	0.66	5.6	-46.26	3	3	1	50	243.33	4	↓ MOL2 SDF SMILES Flexibase

35629441

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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)	0.66	5.62	-46.43	3	3	1	50	243.33	4	↓ MOL2 SDF SMILES Flexibase

35629622

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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)	2.91	7.42	-40.76	2	3	1	39	257.357	5	↓ MOL2 SDF SMILES Flexibase

35629623

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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)	2.91	7.44	-40.91	2	3	1	39	257.357	5	↓ MOL2 SDF SMILES Flexibase

35629766

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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)	3.29	8.28	-39.22	2	3	1	39	271.384	6	↓ MOL2 SDF SMILES Flexibase

35629767

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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)	3.29	8.26	-39.06	2	3	1	39	271.384	6	↓ MOL2 SDF SMILES Flexibase

35629908

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	9.04	-39.95	2	3	1	39	285.411	7	↓ MOL2 SDF SMILES Flexibase

35629910

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	9.02	-39.82	2	3	1	39	285.411	7	↓ MOL2 SDF SMILES Flexibase

35630412

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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)	2.36	5.13	-6.52	1	3	0	42	243.306	4	↓ MOL2 SDF SMILES Flexibase

35630413

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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)	2.36	5.14	-6.52	1	3	0	42	243.306	4	↓ MOL2 SDF SMILES Flexibase

53331954

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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)	2.52	6.6	-40.5	3	3	1	50	257.357	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.52	6.24	-5.23	2	3	0	48	256.349	6	↓ MOL2 SDF SMILES Flexibase

53331958

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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)	2.52	6.42	-43.11	3	3	1	50	257.357	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.52	6.12	-5.94	2	3	0	48	256.349	6	↓ MOL2 SDF SMILES Flexibase

53332116

Analogs

43341989
43341991
43341993
43341995

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	6.54	-43.01	3	3	1	50	271.384	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	6.24	-6.77	2	3	0	48	270.376	6	↓ MOL2 SDF SMILES Flexibase

53332119

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43341989
43341991
43341993
43341995

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	6.79	-34.93	3	3	1	50	271.384	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	6.49	-3.85	2	3	0	48	270.376	6	↓ MOL2 SDF SMILES Flexibase

53332122

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43341989
43341991
43341993
43341995

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	7.49	-33.47	3	3	1	50	271.384	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	6.7	-5.83	2	3	0	48	270.376	6	↓ MOL2 SDF SMILES Flexibase

53332124

Analogs

43341989
43341991
43341993
43341995

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Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	7.55	-37.08	3	3	1	50	271.384	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.92	7.22	-4.54	2	3	0	48	270.376	6	↓ MOL2 SDF SMILES Flexibase

53332254

Analogs

43341997
43341999
43342001
43342003

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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)	3.45	8.42	-41.02	3	3	1	50	285.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.45	8.18	-4.91	2	3	0	48	284.403	7	↓ MOL2 SDF SMILES Flexibase

53332256

Analogs

43341997
43341999
43342001
43342003

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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)	3.45	7.58	-34.17	3	3	1	50	285.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.45	7.35	-4.08	2	3	0	48	284.403	7	↓ MOL2 SDF SMILES Flexibase

53332259

Analogs

43341997
43341999
43342001
43342003

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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)	3.45	8.28	-32.62	3	3	1	50	285.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.45	7.97	-5.23	2	3	0	48	284.403	7	↓ MOL2 SDF SMILES Flexibase

53332262

Analogs

43341997
43341999
43342001
43342003

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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)	3.45	8	-38.94	3	3	1	50	285.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.45	7.71	-3.96	2	3	0	48	284.403	7	↓ MOL2 SDF SMILES Flexibase

19434371

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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)	2.34	4.8	-10.76	1	4	0	55	242.278	4	↓ MOL2 SDF SMILES Flexibase

19439474

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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)	2.84	5.55	-10.51	1	4	0	55	256.305	5	↓ MOL2 SDF SMILES Flexibase

19439622

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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)	2.17	5.26	-16.56	2	3	0	48	244.319	4	↓ MOL2 SDF SMILES Flexibase

19441123

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34961829

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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)	2.15	6.47	-7.68	0	3	0	46	210.236	3	↓ MOL2 SDF SMILES Flexibase

19441307

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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)	2.28	4.72	-6.63	2	3	0	48	214.268	3	↓ MOL2 SDF SMILES Flexibase

19990410

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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)	2.95	7.46	-5.8	0	2	0	22	233.698	4	↓ MOL2 SDF SMILES Flexibase

20002020

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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)	2.97	7.37	-6.1	0	2	0	22	233.698	4	↓ MOL2 SDF SMILES Flexibase

12401404

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20176041
21816512

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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)	1.76	6.34	-8.71	0	4	0	55	240.262	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.76	6.6	-40.95	1	4	1	56	241.27	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 15613
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 = 15613 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=15613&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": "15613"        

    });
</script>

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