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62798236

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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)	-0.21	6.69	-51.61	3	4	1	57	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.21	6.38	-11.95	2	4	0	56	274.364	5	↓ MOL2 SDF SMILES Flexibase

62798237

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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)	-0.21	6.68	-53.97	3	4	1	57	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.21	6.38	-12.94	2	4	0	56	274.364	5	↓ MOL2 SDF SMILES Flexibase

62798330

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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)	-0.58	5.96	-52.07	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	5.65	-12.45	2	4	0	56	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798331

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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)	-0.58	5.95	-54.47	3	4	1	57	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.58	5.65	-13.48	2	4	0	56	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798718

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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)	-0.47	4.78	-50.68	4	4	1	66	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.47	4.47	-11.49	3	4	0	64	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798719

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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)	-0.47	4.78	-51.24	4	4	1	66	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.47	4.47	-11.54	3	4	0	64	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798720

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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)	-0.47	4.77	-53.4	4	4	1	66	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.47	4.47	-12.49	3	4	0	64	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798721

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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)	-0.47	4.77	-53.2	4	4	1	66	261.345	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.47	4.47	-12.59	3	4	0	64	260.337	4	↓ MOL2 SDF SMILES Flexibase

62798806

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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)	-0.83	4.19	-51.21	4	4	1	66	247.318	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.83	3.88	-11.63	3	4	0	64	246.31	4	↓ MOL2 SDF SMILES Flexibase

62798807

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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)	-0.83	4.19	-53.5	4	4	1	66	247.318	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.83	3.89	-12.6	3	4	0	64	246.31	4	↓ MOL2 SDF SMILES Flexibase

62798878

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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)	2.04	8.35	-46.55	2	4	1	46	289.399	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	7.09	-11.65	1	4	0	42	288.391	6	↓ MOL2 SDF SMILES Flexibase

62798879

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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)	2.04	8.49	-48.05	2	4	1	46	289.399	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	7	-12.37	1	4	0	42	288.391	6	↓ MOL2 SDF SMILES Flexibase

62798958

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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)	1.67	7.58	-46.94	2	4	1	46	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	6.34	-12.27	1	4	0	42	274.364	5	↓ MOL2 SDF SMILES Flexibase

62798959

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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)	1.67	7.73	-48.51	2	4	1	46	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	6.27	-12.9	1	4	0	42	274.364	5	↓ MOL2 SDF SMILES Flexibase

62799304

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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)	1.79	6.44	-45.59	3	4	1	55	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.18	-11.29	2	4	0	50	274.364	5	↓ MOL2 SDF SMILES Flexibase

62799305

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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)	1.79	6.44	-46.1	3	4	1	55	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.18	-11.24	2	4	0	50	274.364	5	↓ MOL2 SDF SMILES Flexibase

62799306

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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)	1.79	6.59	-47.52	3	4	1	55	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.09	-11.94	2	4	0	50	274.364	5	↓ MOL2 SDF SMILES Flexibase

62799307

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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)	1.79	6.58	-47.28	3	4	1	55	275.372	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	5.09	-11.96	2	4	0	50	274.364	5	↓ MOL2 SDF SMILES Flexibase

62799362

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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)	1.42	5.84	-46.12	3	4	1	55	261.345	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	4.6	-11.39	2	4	0	50	260.337	5	↓ MOL2 SDF SMILES Flexibase

62799363

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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)	1.42	6	-47.55	3	4	1	55	261.345	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.42	4.53	-12.06	2	4	0	50	260.337	5	↓ MOL2 SDF SMILES Flexibase

62799468

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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)	2.04	8.42	-45.51	2	4	1	46	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799469

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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)	2.04	8.59	-46.96	2	4	1	46	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799722

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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)	2.16	7.31	-44.54	3	4	1	55	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799723

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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)	2.16	7.51	-45.71	3	4	1	55	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799724

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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)	2.16	7.27	-44.08	3	4	1	55	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799725

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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)	2.16	7.43	-45.93	3	4	1	55	289.399	6	↓ MOL2 SDF SMILES Flexibase

62799774

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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)	1.80	6.68	-44.62	3	4	1	55	275.372	6	↓ MOL2 SDF SMILES Flexibase

62799775

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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)	1.80	6.86	-46.05	3	4	1	55	275.372	6	↓ MOL2 SDF SMILES Flexibase

62800054

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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)	2.30	7.44	-45.26	3	4	1	55	289.399	7	↓ MOL2 SDF SMILES Flexibase

62800055

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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)	2.30	7.62	-46.82	3	4	1	55	289.399	7	↓ MOL2 SDF SMILES Flexibase

62800528

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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)	1.23	4.16	-14.12	2	4	0	59	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800529

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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)	1.23	4.16	-13.95	2	4	0	59	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800530

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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)	1.23	4.16	-13.54	2	4	0	59	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800531

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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)	1.23	4.16	-13.64	2	4	0	59	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800580

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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)	1.49	6.07	-14.5	1	4	0	50	275.348	5	↓ MOL2 SDF SMILES Flexibase

62800581

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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)	1.49	6.11	-13.89	1	4	0	50	275.348	5	↓ MOL2 SDF SMILES Flexibase

62800668

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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)	1.11	5.34	-15.06	1	4	0	50	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800669

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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)	1.11	5.34	-14.6	1	4	0	50	261.321	4	↓ MOL2 SDF SMILES Flexibase

62800990

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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)	0.87	3.57	-14.09	2	4	0	59	247.294	4	↓ MOL2 SDF SMILES Flexibase

62800991

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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)	0.87	3.58	-13.72	2	4	0	59	247.294	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 273303
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 273303 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=273303&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": "273303"        

    });
</script>

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