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)	1.60	3.05	-19.05	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	3.77	-42.97	1	3	-1	56	186.19	1	↓ MOL2 SDF SMILES Flexibase

65355597

Analogs

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Popular Name: YB-3640 YB-3640

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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)	1.36	2.84	-17.33	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65355601

Analogs

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Popular Name: YB-3644 YB-3644

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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)	1.38	2.86	-18.69	2	3	0	53	187.198	1	↓ MOL2 SDF SMILES Flexibase

65355604

Analogs

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Popular Name: YB-3648 YB-3648

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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	5.78	-15.39	1	2	0	33	189.189	1	↓ MOL2 SDF SMILES Flexibase

65355606

Analogs

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Popular Name: YB-3652 YB-3652

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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	5.77	-19.65	1	2	0	33	189.189	1	↓ MOL2 SDF SMILES Flexibase

65355608

Analogs

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Popular Name: YB-3656 YB-3656

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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)	2.03	5.77	-17.53	1	2	0	33	189.189	1	↓ MOL2 SDF SMILES Flexibase

65355615

Analogs

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Popular Name: YB-3664 YB-3664

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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)	1.59	6.09	-18.78	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65355619

Analogs

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Popular Name: YB-3668 YB-3668

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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)	1.62	6.09	-20.59	1	3	0	57	196.209	1	↓ MOL2 SDF SMILES Flexibase

65355623

Analogs

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Popular Name: YB-3672 YB-3672

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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)	1.60	5.56	-17.22	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65355627

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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	5.42	-22.19	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65355631

Analogs

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Popular Name: YB-3680 YB-3680

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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)	1.65	5.43	-23.54	1	3	0	50	199.209	2	↓ MOL2 SDF SMILES Flexibase

65355635

Analogs

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Popular Name: YB-3684 YB-3684

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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)	2.66	6.99	-16.17	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65355639

Analogs

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Popular Name: YB-3688 YB-3688

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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)	2.69	7.07	-16.16	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65355643

Analogs

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Popular Name: YB-3692 YB-3692

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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)	2.78	7.14	-16.83	1	2	0	33	199.253	2	↓ MOL2 SDF SMILES Flexibase

65355647

Analogs

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Popular Name: YB-3696 YB-3696

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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)	2.69	7.07	-16.06	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65355651

Analogs

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Popular Name: YB-3700 YB-3700

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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)	2.69	7.03	-16.66	1	2	0	33	199.253	1	↓ MOL2 SDF SMILES Flexibase

65355655

Analogs

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Popular Name: YB-3704 YB-3704

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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)	1.15	3.3	-17.43	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355659

Analogs

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Popular Name: YB-3708 YB-3708

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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)	1.18	3.03	-18.36	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355663

Analogs

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Popular Name: YB-3712 YB-3712

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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)	1.20	3.03	-19.07	2	3	0	53	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355667

Analogs

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Popular Name: YB-3716 YB-3716

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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)	1.87	5.15	-16.4	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355671

Analogs

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Popular Name: YB-3720 YB-3720

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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	5	-16.27	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355674

Analogs

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Popular Name: YB-3724 YB-3724

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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)	1.92	5	-18.61	1	3	0	42	201.225	2	↓ MOL2 SDF SMILES Flexibase

65355678

Analogs

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Popular Name: YB-3728 YB-3728

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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)	2.40	6.46	-14.98	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355682

Analogs

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Popular Name: YB-3732 YB-3732

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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)	2.40	6.45	-14.99	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355686

Analogs

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Popular Name: YB-3736 YB-3736

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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)	2.38	6.44	-15.86	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355690

Analogs

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Popular Name: YB-3740 YB-3740

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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)	2.40	6.41	-19.7	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355694

Analogs

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Popular Name: YB-3744 YB-3744

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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)	2.40	6.41	-17.34	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355698

Analogs

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Popular Name: YB-3748 YB-3748

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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)	2.40	6.45	-17.68	1	2	0	33	203.216	1	↓ MOL2 SDF SMILES Flexibase

65355702

Analogs

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Popular Name: YB-3752 YB-3752

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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)	1.74	2.93	-21.52	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	3.7	-53.35	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65355706

Analogs

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Popular Name: YB-3756 YB-3756

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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)	1.48	2.91	-17.49	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.48	3.67	-43.74	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65355710

Analogs

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Popular Name: YB-3760 YB-3760

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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)	1.74	3.84	-39.88	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	3.08	-15.28	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase

65355714

Analogs

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Popular Name: YB-3764 YB-3764

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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)	1.74	3.12	-20.01	2	3	0	53	205.188	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	3.84	-38.87	1	3	-1	56	204.18	1	↓ MOL2 SDF SMILES Flexibase

65355726

Analogs

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Popular Name: YB-3776 YB-3776

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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	6.29	-14.75	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65355730

Analogs

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Popular Name: YB-3780 YB-3780

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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	6.22	-18.85	1	2	0	33	205.644	1	↓ MOL2 SDF SMILES Flexibase

65355737

Analogs

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Popular Name: YB-3788 YB-3788

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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	5.85	-14.63	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355741

Analogs

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Popular Name: YB-3792 YB-3792

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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	5.82	-20.68	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355745

Analogs

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Popular Name: YB-3796 YB-3796

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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	5.83	-16.45	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355749

Analogs

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Popular Name: YB-3800 YB-3800

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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)	2.09	5.86	-16.16	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355753

Analogs

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Popular Name: YB-3804 YB-3804

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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)	2.09	5.78	-17.94	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355757

Analogs

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Popular Name: YB-3808 YB-3808

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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	5.85	-15.39	1	2	0	33	207.179	1	↓ MOL2 SDF SMILES Flexibase

65355761

Analogs

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Popular Name: YB-3812 YB-3812

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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)	1.74	6.19	-18.56	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65355765

Analogs

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Popular Name: YB-3816 YB-3816

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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)	1.76	6.19	-23.75	1	3	0	50	213.236	2	↓ MOL2 SDF SMILES Flexibase

65355769

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Popular Name: YB-3820 YB-3820

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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)	1.71	6.18	-19.05	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65355773

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Popular Name: YB-3824 YB-3824

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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)	1.68	6.15	-19.46	1	3	0	57	214.199	1	↓ MOL2 SDF SMILES Flexibase

65355777

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Popular Name: YB-3828 YB-3828

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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)	0.66	2.49	-19.99	3	4	0	76	214.224	2	↓ MOL2 SDF SMILES Flexibase

65355781

Analogs

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Popular Name: YB-3832 YB-3832

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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)	1.75	6.27	-50.87	1	4	-1	73	214.2	2	↓ MOL2 SDF SMILES Flexibase

65355785

Analogs

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Popular Name: YB-3836 YB-3836

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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)	1.77	6.27	-57.29	1	4	-1	73	214.2	2	↓ MOL2 SDF SMILES Flexibase

65355793

Analogs

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Popular Name: YB-3844 YB-3844

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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)	2.30	5.82	-16.3	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

65355797

Analogs

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Popular Name: YB-3848 YB-3848

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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)	2.30	5.69	-17.07	1	3	0	42	215.252	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 396574
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 = 396574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=396574&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": "396574"        

    });
</script>

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