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ZINC Item

Suppliers, Protomers, & Similar Substances

37080171

Analogs

42770460
19821661
19821664
19821681

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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)	2.85	8.74	-7.12	0	3	0	33	240.306	4	↓ MOL2 SDF SMILES Flexibase

37080186

Analogs

11986971

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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	10	-35.02	1	4	0	58	256.305	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.63	9.53	-49.4	0	4	-1	56	255.297	4	↓ MOL2 SDF SMILES Flexibase

37080222

Analogs

42772922
42773122

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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)	2.39	6.37	-7.49	1	3	0	36	242.322	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.39	6.81	-22.03	2	3	1	38	243.33	4	↓ MOL2 SDF SMILES Flexibase

37080237

Analogs

42773448
42773511

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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)	3.63	10.23	-6.45	0	2	0	16	260.768	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.63	10.67	-23.63	1	2	1	17	261.776	4	↓ MOL2 SDF SMILES Flexibase

37080254

Analogs

42777821
42777907
48285641
12279787
19821901

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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)	2.24	6.86	-49.77	3	3	1	44	242.346	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.24	6.58	-6.46	2	3	0	42	241.338	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.24	7.31	-97.44	4	3	2	45	243.354	4	↓ MOL2 SDF SMILES Flexibase

37080264

Analogs

12529711

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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)	2.85	11.28	-50.82	1	4	0	58	282.343	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.85	10.82	-50.69	0	4	-1	56	281.335	5	↓ MOL2 SDF SMILES Flexibase

37080278

Analogs

42779024
42779025
6341907

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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)	2.93	9.59	-38.93	1	4	0	58	256.305	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.93	9.25	-49.08	0	4	-1	56	255.297	4	↓ MOL2 SDF SMILES Flexibase

37081305

Analogs

42770460
19821661
19821664
19821681

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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)	2.47	7.91	-7.41	0	3	0	33	226.279	3	↓ MOL2 SDF SMILES Flexibase

37081315

Analogs

11986971

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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)	2.25	9.3	-35.66	1	4	0	58	242.278	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.25	8.85	-50.01	0	4	-1	56	241.27	3	↓ MOL2 SDF SMILES Flexibase

37081365

Analogs

42772922
42773122
34847944
20468244

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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)	2.02	5.51	-7.79	1	3	0	36	228.295	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.02	5.95	-22.25	2	3	1	38	229.303	3	↓ MOL2 SDF SMILES Flexibase

37081376

Analogs

42456104
42456105
42773448
42773511

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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)	3.26	9.45	-6.73	0	2	0	16	246.741	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.26	9.84	-23.83	1	2	1	17	247.749	3	↓ MOL2 SDF SMILES Flexibase

37081387

Analogs

42777821
48285641
12279787
19821901

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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)	1.86	6.04	-49.16	3	3	1	44	228.319	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.86	5.61	-6.61	2	3	0	42	227.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.86	6.49	-96.24	4	3	2	45	229.327	3	↓ MOL2 SDF SMILES Flexibase

37081398

Analogs

12529711

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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)	2.47	10.46	-50.21	1	4	0	58	268.316	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.47	10.01	-50.23	0	4	-1	56	267.308	4	↓ MOL2 SDF SMILES Flexibase

37081422

Analogs

6341907

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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)	2.56	8.71	-40.17	1	4	0	58	242.278	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.56	8.39	-48.65	0	4	-1	56	241.27	3	↓ MOL2 SDF SMILES Flexibase

37097495

Analogs

19821661
19821664
19821681

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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)	3.35	9.3	-8.19	0	3	0	33	254.333	5	↓ MOL2 SDF SMILES Flexibase

37097511

Analogs

11986971

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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)	3.13	10.68	-34.55	1	4	0	58	270.332	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.13	10.21	-49.85	0	4	-1	56	269.324	5	↓ MOL2 SDF SMILES Flexibase

37097555

Analogs

42772922

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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)	2.90	6.9	-8.33	1	3	0	36	256.349	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.90	7.59	-22.16	2	3	1	38	257.357	5	↓ MOL2 SDF SMILES Flexibase

37097570

Analogs

42773448

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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)	4.13	10.76	-6.84	0	2	0	16	274.795	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	11.41	-23.78	1	2	1	17	275.803	5	↓ MOL2 SDF SMILES Flexibase

37097588

Analogs

42777821
48285641
12279787
19821901

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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)	2.74	7.39	-51.67	3	3	1	44	256.373	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.74	7.03	-6.78	2	3	0	42	255.365	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.74	8.06	-98.22	4	3	2	45	257.381	5	↓ MOL2 SDF SMILES Flexibase

37097629

Analogs

6341907

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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)	3.43	10.26	-38.44	1	4	0	58	270.332	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.43	10	-49.25	0	4	-1	56	269.324	5	↓ MOL2 SDF SMILES Flexibase

69052389

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)	3.06	7.8	-5.35	1	3	0	49	237.306	2	↓ MOL2 SDF SMILES Flexibase

69052390

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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)	3.06	7.79	-5.29	1	3	0	49	237.306	2	↓ MOL2 SDF SMILES Flexibase

71390015

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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)	1.94	7.1	-38.13	4	4	1	68	269.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	8	-7.71	3	4	0	66	268.364	5	↓ MOL2 SDF SMILES Flexibase

71390014

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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)	1.87	6.95	-8.53	3	5	0	75	284.363	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.87	7.89	-26.13	4	5	1	76	285.371	5	↓ MOL2 SDF SMILES Flexibase

71390002

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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)	1.07	5.67	-36.65	4	4	1	68	241.318	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.07	6.64	-8.18	3	4	0	66	240.31	3	↓ MOL2 SDF SMILES Flexibase

71390001

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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)	0.99	5.6	-8.93	3	5	0	75	256.309	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.99	6.04	-26.44	4	5	1	76	257.317	3	↓ MOL2 SDF SMILES Flexibase

71389999

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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)	1.44	6.66	-36.61	4	4	1	68	255.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.44	7.6	-7.69	3	4	0	66	254.337	4	↓ MOL2 SDF SMILES Flexibase

71389997

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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)	1.37	6.63	-8.32	3	5	0	75	270.336	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.37	7.08	-26.01	4	5	1	76	271.344	4	↓ MOL2 SDF SMILES Flexibase

71389954

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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	9.45	-8.63	0	3	0	40	291.276	4	↓ MOL2 SDF SMILES Flexibase

71389912

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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)	3.56	10.77	-6.18	0	3	0	40	265.36	4	↓ MOL2 SDF SMILES Flexibase

71389876

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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)	2.42	8.12	-7.64	0	4	0	49	267.332	5	↓ MOL2 SDF SMILES Flexibase

71389864

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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)	3.87	10.55	-6.75	0	3	0	40	265.36	5	↓ MOL2 SDF SMILES Flexibase

71389776

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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	9.77	-6.84	0	3	0	40	251.333	4	↓ MOL2 SDF SMILES Flexibase

71389769

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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)	2.44	8.37	-7.35	0	3	0	40	223.279	2	↓ MOL2 SDF SMILES Flexibase

71389768

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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)	2.81	9.02	-7.01	0	3	0	40	237.306	3	↓ MOL2 SDF SMILES Flexibase

42479018

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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)	1.17	3.77	-8.73	3	4	0	62	243.31	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.17	3.36	-23.35	4	4	1	64	244.318	4	↓ MOL2 SDF SMILES Flexibase

42479953

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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)	1.84	5.21	-8.69	1	4	0	53	256.305	5	↓ MOL2 SDF SMILES Flexibase

42480175

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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)	1.39	3.27	-8.41	2	4	0	57	258.321	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.39	3.72	-23.15	3	4	1	58	259.329	5	↓ MOL2 SDF SMILES Flexibase

42480313

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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)	1.61	5.59	-45.74	3	4	1	53	272.372	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.61	4.72	-6.97	2	4	0	48	271.364	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.61	6.04	-93.1	4	4	2	54	273.38	6	↓ MOL2 SDF SMILES Flexibase

42480315

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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	6.45	-44.56	3	4	1	53	286.399	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.98	6.9	-92.86	4	4	2	54	287.407	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 138100
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 = 138100 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=138100&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": "138100"        

    });
</script>

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