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)	3.94	8.91	-62.19	3	7	-1	110	426.603	16	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.94	6.93	-23.7	4	7	0	108	427.611	16	↓ MOL2 SDF SMILES Flexibase

98369408

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SynInnova Labs BB
- SL-420

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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)	5.37	12.89	-22.69	4	10	0	145	507.676	22	↓ MOL2 SDF SMILES Flexibase

98369407

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SynInnova Labs BB
- SL-420

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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)	5.37	12.89	-22.66	4	10	0	145	507.676	22	↓ MOL2 SDF SMILES Flexibase

98369406

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SynInnova Labs BB
- SL-419

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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)	-0.33	5.11	-33.44	5	12	0	166	451.509	11	↓ MOL2 SDF SMILES Flexibase

98369405

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SynInnova Labs BB
- SL-378

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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)	3.44	8.51	-32.49	3	8	0	105	498.82	6	↓ MOL2 SDF SMILES Flexibase

98369404

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SynInnova Labs BB
- SL-373

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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	6.67	-8.55	0	5	0	53	379.185	4	↓ MOL2 SDF SMILES Flexibase

98369403

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SynInnova Labs BB
- SL-371

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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)	3.68	12.44	-20.23	1	7	0	73	491.361	6	↓ MOL2 SDF SMILES Flexibase

95616600

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Popular Name: terazosin terazosin

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And 22 More

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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

95616599

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Popular Name: terazosin terazosin

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And 22 More

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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

95616601

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And 29 More

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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

98369402

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SynInnova Labs BB
- SL-331

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.14	10.78	-11.46	1	3	0	34	475.18	5	↓ MOL2 SDF SMILES Flexibase

98369401

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SynInnova Labs BB
- SL-331

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.14	10.79	-11.44	1	3	0	34	475.18	5	↓ MOL2 SDF SMILES Flexibase

28582921

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SynInnova Labs BB
- SL-320

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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)	3.86	8.21	-14.65	2	5	0	75	366.804	4	↓ MOL2 SDF SMILES Flexibase

98369400

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SynInnova Labs BB
- SL-220

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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)	2.96	6.73	-53.64	1	6	-1	88	308.354	10	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.96	4.75	-14.65	2	6	0	85	309.362	10	↓ MOL2 SDF SMILES Flexibase

98369399

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SynInnova Labs BB
- SL-207

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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)	3.35	7.77	-12.44	2	5	0	75	350.349	4	↓ MOL2 SDF SMILES Flexibase

98369398

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SynInnova Labs BB
- SL-206

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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)	4.26	8.79	-14.21	2	5	0	75	458.255	4	↓ MOL2 SDF SMILES Flexibase

98369397

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SynInnova Labs BB
- SL-205

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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)	3.99	8.32	-14.45	2	5	0	75	411.255	4	↓ MOL2 SDF SMILES Flexibase

98369396

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SynInnova Labs BB
- SL-204

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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)	2.37	7.77	-15.3	2	5	0	75	350.349	4	↓ MOL2 SDF SMILES Flexibase

98369395

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SynInnova Labs BB
- SL-201

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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	3.12	-21.19	3	7	0	97	324.377	10	↓ MOL2 SDF SMILES Flexibase

95908877

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And 4 More

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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

22454217

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.07	15.09	-44.26	1	3	1	17	449.565	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.07	12.77	-6.89	0	3	0	16	448.557	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.07	15.05	-42.25	1	3	1	17	449.565	9	↓ MOL2 SDF SMILES Flexibase

96068521

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And 1 More

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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

98369394

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SynInnova Labs BB
- SI-743

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.21	14.55	-7.05	0	0	0	0	304.392	1	↓ MOL2 SDF SMILES Flexibase

21986445

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SynInnova Labs BB
- SI-734

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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	0.38	-118.72	0	5	-2	81	230.223	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.41	4.18	-37.03	1	5	-1	78	231.231	2	↓ MOL2 SDF SMILES Flexibase

98369393

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SynInnova Labs BB
- SI-727

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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)	-3.57	-10.44	-47.16	7	6	1	118	180.18	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.57	-10.77	-8.14	6	6	0	116	179.172	1	↓ MOL2 SDF SMILES Flexibase

98369392

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SynInnova Labs BB
- SI-673

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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)	1.05	7.43	-17.79	0	7	0	98	267.237	7	↓ MOL2 SDF SMILES Flexibase

98369391

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SynInnova Labs BB
- SI-661

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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)	2.15	3.44	-6.38	0	3	0	46	260.034	1	↓ MOL2 SDF SMILES Flexibase

98369390

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SynInnova Labs BB
- SI-656

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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	3.86	-11.05	0	4	0	48	217.171	5	↓ MOL2 SDF SMILES Flexibase

33796395

Analogs

22052737
2583466

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SynInnova Labs BB
- SI-647

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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)	0.42	0.75	-52.79	2	6	-1	99	230.24	5	↓ MOL2 SDF SMILES Flexibase

2578921

Analogs

2584576
4202500
4290267
2510302

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SynInnova Labs BB
- SI-615

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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)	3.23	5.45	-3.75	0	1	0	17	148.633	4	↓ MOL2 SDF SMILES Flexibase

5760843

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SynInnova Labs BB
- SI-591

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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	3.47	-1.89	0	1	0	9	100.161	3	↓ MOL2 SDF SMILES Flexibase

98369389

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SynInnova Labs BB
- SI-579

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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	7.26	-53.84	0	4	-1	66	207.205	5	↓ MOL2 SDF SMILES Flexibase

98369388

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SynInnova Labs BB
- SI-574

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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	7.79	-35.54	2	2	1	20	203.309	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	5.33	-5.29	1	2	0	19	202.301	2	↓ MOL2 SDF SMILES Flexibase

98369387

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SynInnova Labs BB
- SI-518

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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)	2.55	4.41	-8.73	0	4	0	45	275.098	4	↓ MOL2 SDF SMILES Flexibase

98369386

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SynInnova Labs BB
- SI-487

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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)	4.74	9.98	-7.36	0	3	0	30	329.362	4	↓ MOL2 SDF SMILES Flexibase

98369385

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SynInnova Labs BB
- SI-486

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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)	3.72	9.47	-10.24	0	4	0	47	303.402	4	↓ MOL2 SDF SMILES Flexibase

98369384

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SynInnova Labs BB
- SI-485

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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)	3.09	10.23	-10.17	0	8	0	102	364.398	6	↓ MOL2 SDF SMILES Flexibase

98369383

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SynInnova Labs BB
- SI-484

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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)	3.19	8.82	-8.76	0	6	0	65	349.427	6	↓ MOL2 SDF SMILES Flexibase

98369382

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SynInnova Labs BB
- SI-482

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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)	4.28	10.01	-7.44	0	3	0	30	307.459	4	↓ MOL2 SDF SMILES Flexibase

36422235

Analogs

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SynInnova Labs BB
- SI-481

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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)	4.26	10	-6.75	0	3	0	30	307.459	4	↓ MOL2 SDF SMILES Flexibase

98369381

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SynInnova Labs BB
- SI-480

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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)	3.76	9.89	-6.1	0	3	0	30	307.459	4	↓ MOL2 SDF SMILES Flexibase

98369380

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SynInnova Labs BB
- SI-473

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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)	3.83	7.18	-8.68	1	3	0	41	269.344	5	↓ MOL2 SDF SMILES Flexibase

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