ZINC 12

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39499081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.49	10.54	-15.27	0	6	0	65	423.49	6	↓ MOL2 SDF SMILES Flexibase

39499083

Analogs

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Popular Name: phenyl phenyl

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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)	4.87	11.03	-15.51	0	5	0	56	439.558	6	↓ MOL2 SDF SMILES Flexibase

39499094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.21	7.99	-15.06	1	6	0	76	409.463	5	↓ MOL2 SDF SMILES Flexibase

39499102

Analogs

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Popular Name: phenyl phenyl

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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)	4.60	10.07	-13.9	0	5	0	56	411.454	5	↓ MOL2 SDF SMILES Flexibase

39499106

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.11	10.46	-13.17	0	5	0	56	427.909	5	↓ MOL2 SDF SMILES Flexibase

39499116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.24	10.54	-12.93	0	5	0	56	472.36	5	↓ MOL2 SDF SMILES Flexibase

39499126

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.87	11.46	-15.21	0	6	0	65	437.517	7	↓ MOL2 SDF SMILES Flexibase

39499139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.48	10.97	-17.66	0	7	0	90	499.61	7	↓ MOL2 SDF SMILES Flexibase

39499162

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.03	11.39	-14.19	0	5	0	56	439.558	6	↓ MOL2 SDF SMILES Flexibase

39499165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.41	12.47	-13.66	0	4	0	47	455.626	6	↓ MOL2 SDF SMILES Flexibase

39499176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.75	9.33	-13.86	1	5	0	67	425.531	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.75	10.33	-48.5	0	5	-1	70	424.523	5	↓ MOL2 SDF SMILES Flexibase

39499183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.14	11.41	-12.91	0	4	0	47	427.522	5	↓ MOL2 SDF SMILES Flexibase

39499187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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	11.79	-12.23	0	4	0	47	443.977	5	↓ MOL2 SDF SMILES Flexibase

39499198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.78	11.87	-11.96	0	4	0	47	488.428	5	↓ MOL2 SDF SMILES Flexibase

39499208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.41	12.31	-14.2	0	5	0	56	453.585	7	↓ MOL2 SDF SMILES Flexibase

39499226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.02	11.83	-17	0	6	0	81	515.678	7	↓ MOL2 SDF SMILES Flexibase

39499242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.21	8.12	-17.62	1	6	0	76	409.463	5	↓ MOL2 SDF SMILES Flexibase

39499248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.59	9.24	-16.95	1	5	0	67	425.531	5	↓ MOL2 SDF SMILES Flexibase

39499260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	3.94	5.74	-17.44	2	6	0	87	395.436	4	↓ MOL2 SDF SMILES Flexibase

39499263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.32	7.6	-16.86	1	5	0	67	397.427	4	↓ MOL2 SDF SMILES Flexibase

39499273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.83	7.98	-16.1	1	5	0	67	413.882	4	↓ MOL2 SDF SMILES Flexibase

39499280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.97	8.04	-15.76	1	5	0	67	458.333	4	↓ MOL2 SDF SMILES Flexibase

39499288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.24	8.45	-15.25	1	5	0	67	505.333	4	↓ MOL2 SDF SMILES Flexibase

39499294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.59	9.04	-17.59	1	6	0	76	423.49	6	↓ MOL2 SDF SMILES Flexibase

39499307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.20	8.44	-24.19	1	7	0	101	485.583	6	↓ MOL2 SDF SMILES Flexibase

39499326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.60	10.25	-16.02	0	5	0	56	411.454	5	↓ MOL2 SDF SMILES Flexibase

39499335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.97	11.36	-15.32	0	4	0	47	427.522	5	↓ MOL2 SDF SMILES Flexibase

39499343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.32	8.14	-14.46	1	5	0	67	397.427	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.32	8.92	-44.84	0	5	-1	70	396.419	4	↓ MOL2 SDF SMILES Flexibase

39499349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.70	9.99	-13.75	0	4	0	47	399.418	4	↓ MOL2 SDF SMILES Flexibase

39499357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.22	10.37	-13.03	0	4	0	47	415.873	4	↓ MOL2 SDF SMILES Flexibase

39499362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.35	10.43	-12.67	0	4	0	47	460.324	4	↓ MOL2 SDF SMILES Flexibase

39499368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.62	10.84	-12.21	0	4	0	47	507.324	4	↓ MOL2 SDF SMILES Flexibase

39499377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.97	11.15	-15.95	0	5	0	56	425.481	6	↓ MOL2 SDF SMILES Flexibase

39499390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.59	10.69	-18.31	0	6	0	81	487.574	6	↓ MOL2 SDF SMILES Flexibase

39499411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.11	10.67	-14.81	0	5	0	56	427.909	5	↓ MOL2 SDF SMILES Flexibase

39499418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.49	11.75	-14.2	0	4	0	47	443.977	5	↓ MOL2 SDF SMILES Flexibase

39499425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.83	8.76	-13.71	1	5	0	67	413.882	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.83	9.54	-45.7	0	5	-1	70	412.874	4	↓ MOL2 SDF SMILES Flexibase

39499432

Analogs

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Popular Name: phenyl phenyl

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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)	5.22	10.62	-13.12	0	4	0	47	415.873	4	↓ MOL2 SDF SMILES Flexibase

39499439

Analogs

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Popular Name: phenyl phenyl

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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)	5.73	10.99	-12.46	0	4	0	47	432.328	4	↓ MOL2 SDF SMILES Flexibase

39499446

Analogs

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Popular Name: phenyl phenyl

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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)	5.86	11.06	-12.12	0	4	0	47	476.779	4	↓ MOL2 SDF SMILES Flexibase

39499459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.49	11.58	-14.78	0	5	0	56	441.936	6	↓ MOL2 SDF SMILES Flexibase

39499472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.10	11.14	-17.08	0	6	0	81	504.029	6	↓ MOL2 SDF SMILES Flexibase

39499491

Analogs

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Popular Name: phenyl phenyl

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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)	5.24	10.75	-14.35	0	5	0	56	472.36	5	↓ MOL2 SDF SMILES Flexibase

39499498

Analogs

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Popular Name: phenyl phenyl

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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)	5.62	11.86	-13.72	0	4	0	47	488.428	5	↓ MOL2 SDF SMILES Flexibase

39499505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	4.97	8.85	-13.68	1	5	0	67	458.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.97	9.64	-47.13	0	5	-1	70	457.325	4	↓ MOL2 SDF SMILES Flexibase

39499512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.35	10.71	-12.9	0	4	0	47	460.324	4	↓ MOL2 SDF SMILES Flexibase

39499519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.86	11.09	-12.25	0	4	0	47	476.779	4	↓ MOL2 SDF SMILES Flexibase

39499537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.62	11.66	-14.24	0	5	0	56	486.387	6	↓ MOL2 SDF SMILES Flexibase

39499575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

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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)	5.24	9.31	-13.77	1	5	0	67	505.333	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	10.1	-48.5	0	5	-1	70	504.325	4	↓ MOL2 SDF SMILES Flexibase

39499582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: phenyl phenyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.62	11.17	-12.82	0	4	0	47	507.324	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 607128
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 = 607128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=607128&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": "607128"        

    });
</script>

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