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)	3.94	6.14	-2.76	3	2	0	38	218.344	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.94	6.64	-35.12	4	2	1	43	219.352	3	↓ MOL2 SDF SMILES Flexibase

61701562

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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)	4.19	7.41	-3.04	2	2	0	29	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.19	8.3	-14.33	3	2	0	30	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701816

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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)	4.18	6.38	-2.68	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.18	6.88	-35.49	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701817

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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)	4.18	6.6	-2.63	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.18	7.1	-35.3	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701818

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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)	4.18	6.6	-2.63	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.18	7.1	-35.3	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701819

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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)	4.18	6.38	-2.68	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.18	6.88	-35.46	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701877

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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)	4.40	7.4	-2.72	3	2	0	38	246.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.40	7.88	-35.45	4	2	1	43	247.406	4	↓ MOL2 SDF SMILES Flexibase

61701992

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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)	4.94	6.73	-2.62	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	6.91	-33.16	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701993

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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)	4.94	6.52	-2.6	3	2	0	38	232.371	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.94	6.79	-33.53	4	2	1	43	233.379	3	↓ MOL2 SDF SMILES Flexibase

61701994

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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)	5.48	7.09	-2.41	3	2	0	38	246.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.48	7.48	-31.79	4	2	1	43	247.406	4	↓ MOL2 SDF SMILES Flexibase

61701995

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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)	5.48	7.72	-2.47	3	2	0	38	246.398	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.48	7.51	-32.02	4	2	1	43	247.406	4	↓ MOL2 SDF SMILES Flexibase

40235166

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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)	4.23	7.67	-36.92	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

40235219

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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)	3.02	7.48	-46.95	3	2	1	31	247.406	4	↓ MOL2 SDF SMILES Flexibase

35133948

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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)	3.91	7.92	-7.01	1	2	0	36	232.302	3	↓ MOL2 SDF SMILES Flexibase

20124596

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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)	3.25	5.7	-9.96	2	3	0	41	246.354	4	↓ MOL2 SDF SMILES Flexibase

20124844

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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)	2.88	4.18	-10.03	3	3	0	55	232.327	4	↓ MOL2 SDF SMILES Flexibase

20126432

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37874655

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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)	3.93	7.46	-7.88	1	3	0	45	244.338	5	↓ MOL2 SDF SMILES Flexibase

20126649

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37787802
37787937
37787938

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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)	3.15	3.21	-11.55	3	4	0	72	282.409	4	↓ MOL2 SDF SMILES Flexibase

52840485

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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	6.35	-7.46	3	5	0	84	249.314	4	↓ MOL2 SDF SMILES Flexibase

52840859

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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)	3.70	8.6	-4.81	2	5	0	75	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841253

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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)	3.69	6.59	-7.41	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841255

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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)	3.69	6.81	-7.3	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841257

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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)	3.69	6.81	-7.31	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841259

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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)	3.69	6.59	-7.4	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841360

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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)	3.91	7.34	-7.43	3	5	0	84	277.368	5	↓ MOL2 SDF SMILES Flexibase

52841549

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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)	4.45	6.94	-7.35	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841551

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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)	4.45	6.93	-7.34	3	5	0	84	263.341	4	↓ MOL2 SDF SMILES Flexibase

52841553

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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)	4.99	7.28	-7.4	3	5	0	84	277.368	5	↓ MOL2 SDF SMILES Flexibase

52841555

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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)	4.99	8.01	-7.47	3	5	0	84	277.368	5	↓ MOL2 SDF SMILES Flexibase

52856300

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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)	2.89	9.1	-42.93	1	4	-1	76	291.758	4	↓ MOL2 SDF SMILES Flexibase

52856302

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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)	2.89	8.99	-42.64	1	4	-1	76	291.758	4	↓ MOL2 SDF SMILES Flexibase

52856304

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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)	1.95	5.86	-49.95	3	5	-1	95	309.773	5	↓ MOL2 SDF SMILES Flexibase

52856306

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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)	1.95	5.71	-52.68	3	5	-1	95	309.773	5	↓ MOL2 SDF SMILES Flexibase

52856366

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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)	3.66	9.16	-48.08	1	4	-1	76	305.785	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.66	7.18	-8.64	2	4	0	73	306.793	5	↓ MOL2 SDF SMILES Flexibase

52857164

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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)	4.12	8.24	-44.76	3	2	1	31	267.824	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.12	7.83	-1.56	2	2	0	29	266.816	4	↓ MOL2 SDF SMILES Flexibase

52860128

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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)	3.32	7.88	-31.62	4	3	1	55	280.823	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.32	8.94	-2.38	3	3	0	53	279.815	4	↓ MOL2 SDF SMILES Flexibase

52860636

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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)	3.25	7.88	-3.71	3	4	0	62	295.814	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.25	6.86	-29.61	4	4	1	63	296.822	4	↓ MOL2 SDF SMILES Flexibase

52903255

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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)	2.86	9.01	-44.95	1	4	-1	76	291.758	4	↓ MOL2 SDF SMILES Flexibase

52903257

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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)	2.86	8.89	-44.55	1	4	-1	76	291.758	4	↓ MOL2 SDF SMILES Flexibase

52903259

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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)	1.93	5.27	-43.64	3	5	-1	95	309.773	5	↓ MOL2 SDF SMILES Flexibase

52903261

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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)	1.93	5.14	-53.08	3	5	-1	95	309.773	5	↓ MOL2 SDF SMILES Flexibase

52903328

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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)	3.64	9.06	-51.02	1	4	-1	76	305.785	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	7.08	-10.37	2	4	0	73	306.793	5	↓ MOL2 SDF SMILES Flexibase

52904721

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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)	4.46	7.16	-10.24	3	2	0	38	282.84	4	↓ MOL2 SDF SMILES Flexibase

52905143

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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)	3.22	6.48	-5.54	3	4	0	62	295.814	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.22	6.07	-26.76	4	4	1	63	296.822	4	↓ MOL2 SDF SMILES Flexibase

52905548

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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)	3.30	7.08	-28.07	4	3	1	55	280.823	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.30	7.53	-4.16	3	3	0	53	279.815	4	↓ MOL2 SDF SMILES Flexibase

52905976

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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)	4.71	9.27	-9.48	2	2	0	29	296.867	4	↓ MOL2 SDF SMILES Flexibase

52907326

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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)	4.71	7.4	-10.47	3	2	0	38	296.867	4	↓ MOL2 SDF SMILES Flexibase

52907328

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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)	4.71	7.63	-10.48	3	2	0	38	296.867	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5253
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 = 5253 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5253&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": "5253"        

    });
</script>

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