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)	1.84	2.29	-15.03	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.84	3.06	-53.81	1	3	-1	56	186.19	1	↓ MOL2 SDF SMILES Flexibase

65337635

Analogs

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Popular Name: YA-0058 YA-0058

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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)	1.61	2.24	-13.58	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65337641

Analogs

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Popular Name: YA-0064 YA-0064

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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)	1.63	2.26	-13.69	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65337658

Analogs

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Popular Name: YA-0094 YA-0094

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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)	1.84	5.49	-15.88	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65337668

Analogs

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Popular Name: YA-0100 YA-0100

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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)	1.86	5.49	-14.64	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65337677

Analogs

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Popular Name: YA-0106 YA-0106

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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)	1.85	4.7	-14.9	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337685

Analogs

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Popular Name: YA-0112 YA-0112

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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)	1.88	4.82	-15.18	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337695

Analogs

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Popular Name: YA-0118 YA-0118

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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)	1.90	4.82	-15.55	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337701

Analogs

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Popular Name: YA-0124 YA-0124

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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)	2.91	6.15	-11.84	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337711

Analogs

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Popular Name: YA-0130 YA-0130

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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)	2.93	6.26	-11.73	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337719

Analogs

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Popular Name: YA-0136 YA-0136

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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)	3.02	6.54	-11.73	1	2	0	33	199.253	2	↓ MOL2 SDF SMILES Flexibase

65337725

Analogs

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Popular Name: YA-0142 YA-0142

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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)	2.93	6.3	-11.73	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337734

Analogs

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Popular Name: YA-0148 YA-0148

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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)	2.93	6.42	-11.96	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337742

Analogs

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Popular Name: YA-0154 YA-0154

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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)	1.40	2.49	-13.43	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337750

Analogs

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Popular Name: YA-0160 YA-0160

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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	2.42	-14.9	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337759

Analogs

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Popular Name: YA-0166 YA-0166

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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)	1.45	2.43	-13.8	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337765

Analogs

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Popular Name: YA-0172 YA-0172

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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)	2.12	4.44	-14.04	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337769

Analogs

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Popular Name: YA-0178 YA-0178

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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)	2.14	4.4	-13.98	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337773

Analogs

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Popular Name: YA-0184 YA-0184

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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)	2.17	4.4	-12.92	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337778

Analogs

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Popular Name: YA-0190 YA-0190

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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)	2.65	5.82	-12.36	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337786

Analogs

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Popular Name: YA-0196 YA-0196

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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)	2.65	5.81	-12.37	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337793

Analogs

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Popular Name: YA-0202 YA-0202

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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)	2.62	5.62	-12.75	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337801

Analogs

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Popular Name: YA-0208 YA-0208

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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)	2.65	5.81	-11.93	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337809

Analogs

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Popular Name: YA-0214 YA-0214

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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)	2.65	5.8	-12.23	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337818

Analogs

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Popular Name: YA-0220 YA-0220

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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)	2.65	5.7	-11.89	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337826

Analogs

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Popular Name: YA-0226 YA-0226

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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)	1.98	2.33	-14.06	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.98	2.12	-56.34	1	3	-1	56	204.18	0	↓ MOL2 SDF SMILES Flexibase

65337835

Analogs

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Popular Name: YA-0232 YA-0232

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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)	1.72	2.31	-12.85	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	3.07	-47.44	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65339030

Analogs

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Popular Name: YA-0238 YA-0238

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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)	1.98	2.35	-12.63	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	3.13	-45.56	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65339036

Analogs

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Popular Name: YA-0244 YA-0244

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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)	1.98	2.36	-14.58	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	3.12	-48.04	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65339054

Analogs

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Popular Name: YA-0262 YA-0262

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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)	2.74	5.53	-12.92	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65339058

Analogs

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Popular Name: YA-0268 YA-0268

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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)	2.76	5.61	-11.44	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65339063

Analogs

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Popular Name: YA-0274 YA-0274

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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)	2.79	5.62	-11.74	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65339068

Analogs

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Popular Name: YA-0280 YA-0280

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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)	2.36	5.21	-11.77	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339074

Analogs

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Popular Name: YA-0286 YA-0286

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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)	2.36	5.22	-12.85	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339079

Analogs

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Popular Name: YA-0292 YA-0292

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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)	2.36	5.23	-11.66	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339084

Analogs

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Popular Name: YA-0298 YA-0298

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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)	2.34	5.2	-13.88	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339090

Analogs

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Popular Name: YA-0304 YA-0304

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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)	2.34	5.18	-14.11	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339096

Analogs

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Popular Name: YA-0310 YA-0310

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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)	2.36	5.21	-12.82	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339102

Analogs

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Popular Name: YA-0316 YA-0316

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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)	1.98	5.58	-19	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65339108

Analogs

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Popular Name: YA-0322 YA-0322

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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)	2.01	5.59	-15.65	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65339114

Analogs

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Popular Name: YA-0328 YA-0328

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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)	1.96	5.54	-14.73	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65339120

Analogs

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Popular Name: YA-0334 YA-0334

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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)	1.93	5.51	-18.76	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65339126

Analogs

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Popular Name: YA-0340 YA-0340

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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)	0.90	1.88	-20.7	3	4	0	76	214.224	2	↓ MOL2 SDF SMILES Flexibase

65339137

Analogs

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Popular Name: YA-0352 YA-0352

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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)	2.02	5.66	-55.86	1	4	-1	73	214.2	2	↓ MOL2 SDF SMILES Flexibase

65339149

Analogs

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Popular Name: YA-0364 YA-0364

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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)	2.54	5.11	-13.92	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339155

Analogs

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Popular Name: YA-0370 YA-0370

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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)	2.54	4.93	-12.88	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339161

Analogs

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Popular Name: YA-0376 YA-0376

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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)	2.54	5.15	-13.16	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339167

Analogs

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Popular Name: YA-0382 YA-0382

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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)	2.52	5.32	-13.82	1	3	0	42	215.252	3	↓ MOL2 SDF SMILES Flexibase

65339171

Analogs

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Popular Name: YA-0388 YA-0388

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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)	2.04	5.8	-17.75	1	5	0	79	216.196	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 5301
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 = 5301 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5301&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": "5301"        

    });
</script>

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