ZINC 12

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ZINC Item

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65337612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-0026 YA-0026

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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)	2.51	5.57	-12.85	1	2	0	33	185.226	1	↓ MOL2 SDF SMILES Flexibase

65337617

Analogs

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Popular Name: YA-0038 YA-0038

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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)	2.56	5.77	-13.27	1	2	0	33	185.226	1	↓ MOL2 SDF SMILES Flexibase

65337622

Analogs

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Popular Name: YA-0044 YA-0044

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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)	1.16	2.96	-14.06	3	3	0	59	186.214	1	↓ MOL2 SDF SMILES Flexibase

65337626

Analogs

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Popular Name: YA-0050 YA-0050

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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	2.29	-13.03	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65337633

Analogs

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Popular Name: YA-0056 YA-0056

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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	2.23	-15.99	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65337638

Analogs

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Popular Name: YA-0062 YA-0062

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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	2.23	-14.71	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65337655

Analogs

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Popular Name: YA-0092 YA-0092

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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	5.48	-15.52	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65337666

Analogs

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Popular Name: YA-0098 YA-0098

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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	5.5	-14.1	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65337674

Analogs

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Popular Name: YA-0104 YA-0104

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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	4.69	-15.88	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337683

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	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	4.81	-15.04	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337692

Analogs

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Popular Name: YA-0116 YA-0116

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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	4.83	-18.06	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65337699

Analogs

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Popular Name: YA-0122 YA-0122

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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	6.2	-13.03	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337708

Analogs

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Popular Name: YA-0128 YA-0128

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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	-13.04	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337716

Analogs

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Popular Name: YA-0134 YA-0134

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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	-13.03	1	2	0	33	199.253	2	↓ MOL2 SDF SMILES Flexibase

65337723

Analogs

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Popular Name: YA-0140 YA-0140

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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	6.24	-12.93	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337732

Analogs

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Popular Name: YA-0146 YA-0146

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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	6.43	-13.62	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65337739

Analogs

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Popular Name: YA-0152 YA-0152

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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	2.47	-14.97	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337747

Analogs

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Popular Name: YA-0158 YA-0158

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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	2.43	-15.45	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337757

Analogs

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Popular Name: YA-0164 YA-0164

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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	2.42	-15.2	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337770

Analogs

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Popular Name: YA-0182 YA-0182

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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	-13.84	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65337776

Analogs

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Popular Name: YA-0188 YA-0188

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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	5.83	-13.96	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337783

Analogs

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Popular Name: YA-0194 YA-0194

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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	-14.1	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337790

Analogs

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Popular Name: YA-0200 YA-0200

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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	5.67	-13.67	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337799

Analogs

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Popular Name: YA-0206 YA-0206

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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	-12.89	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337807

Analogs

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Popular Name: YA-0212 YA-0212

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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	-12.97	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337815

Analogs

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Popular Name: YA-0218 YA-0218

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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	5.63	-12.9	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65337823

Analogs

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Popular Name: YA-0224 YA-0224

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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	2.31	-16.48	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	3.07	-60.86	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65337832

Analogs

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Popular Name: YA-0230 YA-0230

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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	2.3	-14.77	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.72	3.06	-56.35	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65337842

Analogs

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Popular Name: YA-0236 YA-0236

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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	-15.75	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	3.13	-58.41	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65339034

Analogs

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Popular Name: YA-0242 YA-0242

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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	-15.66	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.98	3.12	-56.33	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65339052

Analogs

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Popular Name: YA-0260 YA-0260

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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	-13.36	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65339061

Analogs

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Popular Name: YA-0272 YA-0272

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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	5.61	-12.31	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65339066

Analogs

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Popular Name: YA-0278 YA-0278

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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	-14.35	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339072

Analogs

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Popular Name: YA-0284 YA-0284

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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	-14.8	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339077

Analogs

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Popular Name: YA-0290 YA-0290

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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	-12.55	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339082

Analogs

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Popular Name: YA-0296 YA-0296

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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	5.21	-14.86	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339088

Analogs

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Popular Name: YA-0302 YA-0302

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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	-16	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339094

Analogs

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Popular Name: YA-0308 YA-0308

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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	-14.13	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65339100

Analogs

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Popular Name: YA-0314 YA-0314

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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	5.5	-20.52	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65339106

Analogs

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Popular Name: YA-0320 YA-0320

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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	5.51	-16.01	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65339112

Analogs

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Popular Name: YA-0326 YA-0326

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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	5.56	-14.64	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65339118

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Popular Name: YA-0332 YA-0332

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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)	1.93	5.52	-18.66	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65339124

Analogs

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Popular Name: YA-0338 YA-0338

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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	-22.13	3	4	0	76	214.224	2	↓ MOL2 SDF SMILES Flexibase

65339130

Analogs

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Popular Name: YA-0344 YA-0344

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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)	2.00	5.66	-68.48	1	4	-1	73	214.2	2	↓ MOL2 SDF SMILES Flexibase

65339135

Analogs

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Popular Name: YA-0350 YA-0350

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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	5.64	-62.26	1	4	-1	73	214.2	2	↓ MOL2 SDF SMILES Flexibase

65339147

Analogs

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Popular Name: YA-0362 YA-0362

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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	5.1	-15.27	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339153

Analogs

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Popular Name: YA-0368 YA-0368

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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	4.85	-13.98	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339159

Analogs

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Popular Name: YA-0374 YA-0374

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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	-14.24	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65339165

Analogs

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Popular Name: YA-0380 YA-0380

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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	5.31	-15.85	1	3	0	42	215.252	3	↓ MOL2 SDF SMILES Flexibase

65339174

Analogs

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Popular Name: YA-0392 YA-0392

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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)	2.49	6.01	-14.24	1	2	0	33	217.293	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 26449
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 = 26449 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=26449&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": "26449"        

    });
</script>

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