ZINC 12

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ZINC Item

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62977242

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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.40	14.31	-47.69	1	5	47	483.632	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.40	17.19	-110.9	2	5	48	484.64	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.40	14.21	-10.31	0	5	46	482.624	8	↓ MOL2 SDF SMILES Flexibase

41586721

Analogs

41587363
41587483
41587544
41588033

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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)	6.00	12.58	-9.47	0	4	0	43	425.528	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.00	15.46	-52.13	1	4	1	44	426.536	5	↓ MOL2 SDF SMILES Flexibase

41586761

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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)	5.71	11.98	-9.47	0	4	0	43	429.491	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.71	14.84	-52.7	1	4	1	44	430.499	5	↓ MOL2 SDF SMILES Flexibase

41586794

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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)	6.22	12.43	-8.94	0	4	0	43	445.946	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.22	15.29	-52.3	1	4	1	44	446.954	5	↓ MOL2 SDF SMILES Flexibase

41586833

Analogs

41587326

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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)	6.83	12.87	-7.63	0	4	0	43	480.391	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.83	15.73	-52.18	1	4	1	44	481.399	5	↓ MOL2 SDF SMILES Flexibase

41586870

Analogs

41587326

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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)	6.18	12.36	-9.18	0	4	0	43	445.946	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.18	15.21	-52.87	1	4	1	44	446.954	5	↓ MOL2 SDF SMILES Flexibase

41586910

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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)	5.66	11.97	-9.75	0	4	0	43	429.491	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.66	14.83	-53.35	1	4	1	44	430.499	5	↓ MOL2 SDF SMILES Flexibase

41586942

Analogs

41587146
41587403

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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)	5.55	11.29	-10.81	0	5	0	52	441.527	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.55	14.15	-53.42	1	5	1	53	442.535	6	↓ MOL2 SDF SMILES Flexibase

41587044

Analogs

41587069

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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)	5.19	11.15	-12.23	0	6	0	61	471.553	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.19	14.01	-55.93	1	6	1	62	472.561	7	↓ MOL2 SDF SMILES Flexibase

41587069

Analogs

41587044

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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)	5.18	11.01	-13.33	0	7	0	70	501.579	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.18	13.85	-58.13	1	7	1	72	502.587	8	↓ MOL2 SDF SMILES Flexibase

41587106

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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)	6.29	12.41	-10.78	0	4	0	43	463.936	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.29	15.27	-53.83	1	4	1	44	464.944	5	↓ MOL2 SDF SMILES Flexibase

41587146

Analogs

41587403
41586942

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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)	5.59	10.6	-11.1	0	6	0	61	471.553	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.59	13.46	-54.16	1	6	1	62	472.561	7	↓ MOL2 SDF SMILES Flexibase

41587176

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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)	5.59	10.58	-12.16	0	6	0	61	471.553	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.59	13.44	-54.32	1	6	1	62	472.561	7	↓ MOL2 SDF SMILES Flexibase

41587208

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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)	7.06	13.83	-9.06	0	4	0	43	453.582	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	7.06	16.69	-51.81	1	4	1	44	454.59	6	↓ MOL2 SDF SMILES Flexibase

41587248

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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)	5.48	12.62	-11.57	0	7	0	89	456.498	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.48	15.49	-56.79	1	7	1	90	457.506	6	↓ MOL2 SDF SMILES Flexibase

41587288

Analogs

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Popular Name: methyl methyl

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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)	5.72	12.57	-11.7	0	6	0	69	469.537	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.72	15.43	-55.97	1	6	1	70	470.545	7	↓ MOL2 SDF SMILES Flexibase

41587326

Analogs

41586833
41586870

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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)	6.81	12.8	-9.79	0	4	0	43	480.391	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.81	15.66	-52.65	1	4	1	44	481.399	5	↓ MOL2 SDF SMILES Flexibase

41587363

Analogs

41587483
41587544
41588033
41586721

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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)	5.98	12.14	-10.2	0	5	0	52	455.554	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	15.02	-53.18	1	5	1	53	456.562	7	↓ MOL2 SDF SMILES Flexibase

41587403

Analogs

41586942
41587146

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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)	5.93	12.21	-10.65	0	5	0	52	455.554	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.93	15.09	-53.16	1	5	1	53	456.562	7	↓ MOL2 SDF SMILES Flexibase

41587483

Analogs

41587544
41586721
41587363

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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)	5.60	11.23	-10.41	0	5	0	52	441.527	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.60	14.09	-53.39	1	5	1	53	442.535	6	↓ MOL2 SDF SMILES Flexibase

41587512

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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)	5.58	11.21	-11.45	0	5	0	52	441.527	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.58	14.07	-53.68	1	5	1	53	442.535	6	↓ MOL2 SDF SMILES Flexibase

41587544

Analogs

41588033
41586721
41587363
41587483

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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)	5.55	11.91	-9.46	0	4	0	43	411.501	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.55	14.77	-52.16	1	4	1	44	412.509	5	↓ MOL2 SDF SMILES Flexibase

41587575

Analogs

41588401
41588456

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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)	5.18	10.5	-13.29	0	7	0	70	501.579	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.18	13.34	-56.49	1	7	1	72	502.587	8	↓ MOL2 SDF SMILES Flexibase

41587606

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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)	6.34	11.91	-10.3	0	5	0	52	520.423	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.34	14.77	-52.77	1	5	1	53	521.431	6	↓ MOL2 SDF SMILES Flexibase

41587637

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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)	6.31	12.44	-9.1	0	4	0	43	490.397	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.31	15.31	-52.97	1	4	1	44	491.405	5	↓ MOL2 SDF SMILES Flexibase

41587674

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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)	5.69	11.98	-9	0	4	0	43	429.491	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.69	14.84	-52.93	1	4	1	44	430.499	5	↓ MOL2 SDF SMILES Flexibase

41587710

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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)	6.20	12.43	-8.6	0	4	0	43	445.946	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.20	15.29	-52.34	1	4	1	44	446.954	5	↓ MOL2 SDF SMILES Flexibase

41587749

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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)	6.33	12.54	-8.56	0	4	0	43	490.397	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.33	15.4	-52.29	1	4	1	44	491.405	5	↓ MOL2 SDF SMILES Flexibase

41587801

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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)	5.97	12.57	-9.32	0	4	0	43	425.528	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.97	15.45	-52.13	1	4	1	44	426.536	5	↓ MOL2 SDF SMILES Flexibase

41587879

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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)	5.95	12.46	-9.34	0	4	0	43	425.528	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.95	15.34	-52.18	1	4	1	44	426.536	5	↓ MOL2 SDF SMILES Flexibase

41588033

Analogs

41586721
41587363
41587544

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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)	6.46	13.35	-9.25	0	4	0	43	439.555	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.46	16.22	-51.91	1	4	1	44	440.563	6	↓ MOL2 SDF SMILES Flexibase

41588109

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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)	7.25	14.23	-9.09	0	4	0	43	467.609	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	7.25	17.09	-51.68	1	4	1	44	468.617	6	↓ MOL2 SDF SMILES Flexibase

41588184

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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)	5.50	12.63	-12.07	0	7	0	89	456.498	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.50	15.49	-56.79	1	7	1	90	457.506	6	↓ MOL2 SDF SMILES Flexibase

41588258

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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)	6.36	12.54	-8.87	0	4	0	43	490.397	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.36	15.4	-52.21	1	4	1	44	491.405	5	↓ MOL2 SDF SMILES Flexibase

41588329

Analogs

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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)	6.83	12.89	-10.1	0	4	0	43	480.391	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.83	15.75	-53.1	1	4	1	44	481.399	5	↓ MOL2 SDF SMILES Flexibase

41588401

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41587575

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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)	5.37	11.29	-11.44	0	6	0	61	471.553	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.37	14.15	-55.6	1	6	1	62	472.561	7	↓ MOL2 SDF SMILES Flexibase

41588456

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41587575

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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)	5.38	11.25	-11.88	0	7	0	70	501.579	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.38	14.11	-56.3	1	7	1	72	502.587	8	↓ MOL2 SDF SMILES Flexibase

41589349

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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)	5.65	12.34	-10.81	0	5	0	46	454.57	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	15.19	-52.59	1	5	1	47	455.578	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.65	15.94	-113.98	2	5	0	48	456.586	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 325171
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 = 325171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=325171&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": "325171"        

    });
</script>

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