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)	2.02	3.6	-3.19	3	2	0	38	162.236	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.02	4.05	-31.39	4	2	1	43	163.244	2	↓ MOL2 SDF SMILES Flexibase

61701064

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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)	3.06	7.62	-6.37	1	4	0	58	220.272	3	↓ MOL2 SDF SMILES Flexibase

61701065

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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)	3.06	7.62	-6.37	1	4	0	58	220.272	3	↓ MOL2 SDF SMILES Flexibase

61701117

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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)	3.10	7.11	-6.57	1	4	0	58	206.245	3	↓ MOL2 SDF SMILES Flexibase

61701118

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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)	3.10	6.96	-6.52	1	4	0	58	206.245	3	↓ MOL2 SDF SMILES Flexibase

61701119

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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)	3.10	6.97	-6.52	1	4	0	58	206.245	3	↓ MOL2 SDF SMILES Flexibase

61701120

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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)	3.10	7.11	-6.58	1	4	0	58	206.245	3	↓ MOL2 SDF SMILES Flexibase

61701138

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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)	2.64	5.87	-3.41	2	2	0	29	190.29	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	6.37	-14.83	3	2	0	30	191.298	3	↓ MOL2 SDF SMILES Flexibase

61701140

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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)	2.27	4.98	-3.65	2	2	0	29	176.263	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.27	5.76	-15.43	3	2	0	30	177.271	2	↓ MOL2 SDF SMILES Flexibase

61701152

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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)	3.14	6.56	-3.15	2	2	0	29	204.317	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.14	7.1	-14.53	3	2	0	30	205.325	4	↓ MOL2 SDF SMILES Flexibase

61701194

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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)	1.64	3.85	-52.27	4	5	1	85	208.241	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	3.51	-7.29	3	5	0	84	207.233	3	↓ MOL2 SDF SMILES Flexibase

61701195

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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)	1.64	3.63	-55.48	4	5	1	85	208.241	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	3.31	-6.65	3	5	0	84	207.233	3	↓ MOL2 SDF SMILES Flexibase

61701196

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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)	1.64	3.63	-55.5	4	5	1	85	208.241	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	3.31	-6.94	3	5	0	84	207.233	3	↓ MOL2 SDF SMILES Flexibase

61701197

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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)	1.64	3.85	-52.25	4	5	1	85	208.241	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.64	3.55	-7.42	3	5	0	84	207.233	3	↓ MOL2 SDF SMILES Flexibase

61701388

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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)	2.11	5.51	-7.07	1	5	0	69	236.271	5	↓ MOL2 SDF SMILES Flexibase

61701557

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Popular Name: ethyl ethyl

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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)	2.98	9.81	-10.57	0	6	0	75	278.308	7	↓ MOL2 SDF SMILES Flexibase

61701559

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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	7.34	-3.09	2	2	0	29	218.344	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.70	7.88	-14.65	3	2	0	30	219.352	5	↓ MOL2 SDF SMILES Flexibase

61701579

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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)	2.25	5.22	-3.96	2	3	0	38	220.316	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.25	5.5	-13.78	3	3	0	40	221.324	5	↓ MOL2 SDF SMILES Flexibase

61701771

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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)	1.63	2.82	-4.71	3	3	0	49	206.289	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	3.09	-15.19	4	3	0	51	207.297	4	↓ MOL2 SDF SMILES Flexibase

61701779

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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)	1.72	6.31	-6.45	2	3	0	53	215.3	4	↓ MOL2 SDF SMILES Flexibase

61701781

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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)	3.39	7.01	-2.99	2	2	0	29	218.344	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	7.79	-13.04	3	2	0	30	219.352	4	↓ MOL2 SDF SMILES Flexibase

61701811

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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)	3.19	6.06	-4.53	2	2	0	29	244.26	4	↓ MOL2 SDF SMILES Flexibase

61701894

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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)	2.58	4.93	-2.91	3	2	0	38	190.29	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	5.41	-30.79	4	2	1	43	191.298	2	↓ MOL2 SDF SMILES Flexibase

61701895

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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)	2.58	4.93	-2.93	3	2	0	38	190.29	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.58	5.41	-30.8	4	2	1	43	191.298	2	↓ MOL2 SDF SMILES Flexibase

61701988

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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)	2.63	4.42	-2.98	3	2	0	38	176.263	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.63	4.9	-30.57	4	2	1	43	177.271	2	↓ MOL2 SDF SMILES Flexibase

61701989

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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)	2.63	4.28	-3.05	3	2	0	38	176.263	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.63	4.72	-31.68	4	2	1	43	177.271	2	↓ MOL2 SDF SMILES Flexibase

61701990

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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)	2.63	4.28	-3.05	3	2	0	38	176.263	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.63	4.72	-31.66	4	2	1	43	177.271	2	↓ MOL2 SDF SMILES Flexibase

61701991

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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)	2.63	4.42	-2.98	3	2	0	38	176.263	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.63	4.9	-30.63	4	2	1	43	177.271	2	↓ MOL2 SDF SMILES Flexibase

34753177

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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	5.1	-4.83	1	3	0	30	257.28	5	↓ MOL2 SDF SMILES Flexibase

34753178

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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	4.42	-4.46	1	2	0	21	213.227	3	↓ MOL2 SDF SMILES Flexibase

34753179

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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)	3.21	5.35	-4.36	1	2	0	21	227.254	4	↓ MOL2 SDF SMILES Flexibase

34753180

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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)	3.57	6.04	-4.75	1	2	0	21	241.281	4	↓ MOL2 SDF SMILES Flexibase

34753181

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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)	3.00	3.69	-6.68	1	3	0	30	265.206	5	↓ MOL2 SDF SMILES Flexibase

34753182

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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)	2.96	5.07	-7.92	1	2	0	21	235.18	4	↓ MOL2 SDF SMILES Flexibase

35631586

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42772892
42772896

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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)	2.41	6.3	-4.72	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631587

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42772892
42772896

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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)	2.41	6.27	-4.8	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631588

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42772886
42772889

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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)	2.35	5.35	-3.81	1	2	0	23	205.301	4	↓ MOL2 SDF SMILES Flexibase

35631589

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42772886
42772889

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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)	2.35	5.51	-3.72	1	2	0	23	205.301	4	↓ MOL2 SDF SMILES Flexibase

35631590

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42450933
42450935
42772947
42772951

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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)	2.44	5.87	-3.64	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631591

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42772947
42772951

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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)	2.44	5.87	-3.71	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631592

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42772878
42772882
42773071
42773074

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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	5.91	-4.13	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631593

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42772878
42772882

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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)	2.44	5.95	-4.19	1	2	0	23	223.291	4	↓ MOL2 SDF SMILES Flexibase

35631594

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42772963
42772966

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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)	2.23	6.75	-8.48	1	5	0	69	250.298	5	↓ MOL2 SDF SMILES Flexibase

35631595

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42772963
42772966

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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)	2.23	6.77	-8.3	1	5	0	69	250.298	5	↓ MOL2 SDF SMILES Flexibase

35631596

Analogs

42772892
42772896

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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	5.47	-4.96	1	2	0	23	209.264	3	↓ MOL2 SDF SMILES Flexibase

35631597

Analogs

42772892
42772896

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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	5.51	-4.96	1	2	0	23	209.264	3	↓ MOL2 SDF SMILES Flexibase

35631598

Analogs

42772886
42772889

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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)	1.97	4.54	-4.73	1	2	0	23	191.274	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5227
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 = 5227 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5227&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": "5227"        

    });
</script>

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