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ZINC Item

Suppliers, Protomers, & Similar Substances

169187

Analogs

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PBMR Labs Building Blocks
- RBK_029451

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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

84480345

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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

75835810

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PBMR Labs Building Blocks
- RBK_007685

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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

3017649

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19922733

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And 9 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
Ref Reference (pH 7)	4.28	-5.81	-54.23	4	5	1	86	431.965	9	↓ MOL2 SDF SMILES Flexibase

85347276

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PBMR Labs Building Blocks
- RBK_064679
Princeton BioMolecular Research
- OSSL_833086

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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
Lo Low (pH 4.5-6)	4.55	10.03	-37.83	2	7	1	98	336.327	4	↓ MOL2 SDF SMILES Flexibase

85346895

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And 2 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
Ref Reference (pH 7)	0.73	5.76	-47.42	0	2	-1	40	137.158	2	↓ MOL2 SDF SMILES Flexibase

85346893

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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)	0.39	0.78	-41.7	3	2	1	37	158.143	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	0.32	-4.67	2	2	0	35	157.135	4	↓ MOL2 SDF SMILES Flexibase

85346890

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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)	0.39	0.78	-43	3	2	1	37	158.143	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	0.32	-4.53	2	2	0	35	157.135	4	↓ MOL2 SDF SMILES Flexibase

85346889

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PBMR Labs Building Blocks
- RBK_065793
Princeton BioMolecular Research
- OSSL_833229

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)	3.86	8.65	-42.35	0	4	-1	58	329.788	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.40	9.77	-14.66	1	4	0	55	330.796	2	↓ MOL2 SDF SMILES Flexibase

85346887

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Vendors

PBMR Labs Building Blocks
- RBK_065792
Princeton BioMolecular Research
- OSSL_833228

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)	3.18	8.13	-45.18	0	4	-1	58	295.343	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.72	9.25	-15.15	1	4	0	55	296.351	2	↓ MOL2 SDF SMILES Flexibase

85346885

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Vendors

PBMR Labs Building Blocks
- RBK_065788
Princeton BioMolecular Research
- OSSL_833224

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)	3.32	6.7	-43.26	0	4	-1	58	261.326	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.86	7.82	-13.64	1	4	0	55	262.334	3	↓ MOL2 SDF SMILES Flexibase

85346883

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Vendors

PBMR Labs Building Blocks
- RBK_065784
Princeton BioMolecular Research
- OSSL_833220

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)	4.59	11.21	-12.5	0	6	0	85	366.167	6	↓ MOL2 SDF SMILES Flexibase

85346881

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Vendors

PBMR Labs Building Blocks
- RBK_065783
Princeton BioMolecular Research
- OSSL_833219

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)	4.86	11.78	-12.43	0	6	0	85	378.178	7	↓ MOL2 SDF SMILES Flexibase

85346879

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Vendors

PBMR Labs Building Blocks
- RBK_065782
Princeton BioMolecular Research
- OSSL_833218

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)	4.38	11.74	-13.66	0	6	0	85	376.162	6	↓ MOL2 SDF SMILES Flexibase

85346877

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065781
Princeton BioMolecular Research
- OSSL_833217

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)	4.25	11.64	-13.86	0	6	0	85	331.711	6	↓ MOL2 SDF SMILES Flexibase

85346875

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Vendors

PBMR Labs Building Blocks
- RBK_065780
Princeton BioMolecular Research
- OSSL_833216

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)	4.73	11.68	-12.67	0	6	0	85	333.727	7	↓ MOL2 SDF SMILES Flexibase

85346872

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Vendors

PBMR Labs Building Blocks
- RBK_065778
Princeton BioMolecular Research
- OSSL_833214

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)	4.09	10.17	-12.83	0	6	0	85	307.689	5	↓ MOL2 SDF SMILES Flexibase

85346869

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Vendors

PBMR Labs Building Blocks
- RBK_065777
Princeton BioMolecular Research
- OSSL_833213

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)	4.22	10.28	-12.57	0	6	0	85	352.14	5	↓ MOL2 SDF SMILES Flexibase

85346867

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Vendors

PBMR Labs Building Blocks
- RBK_065776
Princeton BioMolecular Research
- OSSL_833212

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)	3.09	6.34	-13.25	2	6	0	102	337.129	4	↓ MOL2 SDF SMILES Flexibase

85346865

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Vendors

PBMR Labs Building Blocks
- RBK_065775
Princeton BioMolecular Research
- OSSL_833211

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)	2.96	6.24	-13.38	2	6	0	102	292.678	4	↓ MOL2 SDF SMILES Flexibase

85346862

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065773
Princeton BioMolecular Research
- OSSL_833209

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)	3.60	8.64	-61.88	0	6	-1	99	337.105	4	↓ MOL2 SDF SMILES Flexibase

85346860

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065772
Princeton BioMolecular Research
- OSSL_833208

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)	4.02	9.89	-12.45	0	6	0	85	340.129	5	↓ MOL2 SDF SMILES Flexibase

85346858

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065771
Princeton BioMolecular Research
- OSSL_833207

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)	4.29	10.46	-12.43	0	6	0	85	352.14	6	↓ MOL2 SDF SMILES Flexibase

85346855

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Vendors

PBMR Labs Building Blocks
- RBK_065770
Princeton BioMolecular Research
- OSSL_833206

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)	3.80	10.42	-13.81	0	6	0	85	350.124	5	↓ MOL2 SDF SMILES Flexibase

85346853

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Vendors

PBMR Labs Building Blocks
- RBK_065769
Princeton BioMolecular Research
- OSSL_833205

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)	3.67	10.32	-13.94	0	6	0	85	305.673	5	↓ MOL2 SDF SMILES Flexibase

85346850

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065768
Princeton BioMolecular Research
- OSSL_833204

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)	4.16	10.36	-12.66	0	6	0	85	307.689	6	↓ MOL2 SDF SMILES Flexibase

85346848

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Vendors

PBMR Labs Building Blocks
- RBK_065765
Princeton BioMolecular Research
- OSSL_833203

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)	1.50	4.85	-14.74	3	5	0	85	258.277	2	↓ MOL2 SDF SMILES Flexibase

85346846

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Vendors

PBMR Labs Building Blocks
- RBK_065764
Princeton BioMolecular Research
- OSSL_833202

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)	1.98	7.54	-18.5	1	7	0	105	288.259	3	↓ MOL2 SDF SMILES Flexibase

85346844

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Vendors

PBMR Labs Building Blocks
- RBK_065763
Princeton BioMolecular Research
- OSSL_833201

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)	2.00	7.49	-19.65	1	7	0	105	288.259	3	↓ MOL2 SDF SMILES Flexibase

85346841

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Vendors

PBMR Labs Building Blocks
- RBK_065762
Princeton BioMolecular Research
- OSSL_833200

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)	1.61	6.95	-22.71	1	8	0	114	304.258	4	↓ MOL2 SDF SMILES Flexibase

85346839

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Vendors

PBMR Labs Building Blocks
- RBK_065761
Princeton BioMolecular Research
- OSSL_833199

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)	1.14	3.46	-16.06	3	6	0	95	274.276	3	↓ MOL2 SDF SMILES Flexibase

85346836

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PBMR Labs Building Blocks
- RBK_065760
Princeton BioMolecular Research
- OSSL_833198

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)	1.53	4.8	-15.27	3	5	0	85	258.277	2	↓ MOL2 SDF SMILES Flexibase

85346834

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PBMR Labs Building Blocks
- RBK_065759
Princeton BioMolecular Research
- OSSL_833197

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)	1.12	4.71	-14.65	3	5	0	85	258.277	2	↓ MOL2 SDF SMILES Flexibase

85346832

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PBMR Labs Building Blocks
- RBK_065758
Princeton BioMolecular Research
- OSSL_833196

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)	0.73	3.48	-16.68	3	6	0	95	274.276	3	↓ MOL2 SDF SMILES Flexibase

85346830

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PBMR Labs Building Blocks
- RBK_065757
Princeton BioMolecular Research
- OSSL_833195

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)	1.61	6.3	-19.13	1	8	0	114	304.258	4	↓ MOL2 SDF SMILES Flexibase

85346828

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PBMR Labs Building Blocks
- RBK_065756
Princeton BioMolecular Research
- OSSL_833194

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)	2.00	7.55	-18.28	1	7	0	105	288.259	3	↓ MOL2 SDF SMILES Flexibase

85346826

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PBMR Labs Building Blocks
- RBK_065755
Princeton BioMolecular Research
- OSSL_833193

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)	1.89	4.89	-14.23	3	5	0	85	323.146	2	↓ MOL2 SDF SMILES Flexibase

85346824

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Vendors

PBMR Labs Building Blocks
- RBK_065754
Princeton BioMolecular Research
- OSSL_833192

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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	4.79	-14.33	3	5	0	85	278.695	2	↓ MOL2 SDF SMILES Flexibase

85346822

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PBMR Labs Building Blocks
- RBK_065753
Princeton BioMolecular Research
- OSSL_833191

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)	1.53	4.94	-14.43	3	5	0	85	258.277	2	↓ MOL2 SDF SMILES Flexibase

85346820

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Vendors

PBMR Labs Building Blocks
- RBK_065752
Princeton BioMolecular Research
- OSSL_833190

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)	1.14	3.57	-15.55	3	6	0	95	274.276	3	↓ MOL2 SDF SMILES Flexibase

85346819

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065751
Princeton BioMolecular Research
- OSSL_833189

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)	1.51	4.5	-15.21	3	6	0	95	288.303	4	↓ MOL2 SDF SMILES Flexibase

85346816

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065750
Princeton BioMolecular Research
- OSSL_833188

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)	1.99	7.7	-19.78	1	8	0	114	318.285	5	↓ MOL2 SDF SMILES Flexibase

85346814

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065749
Princeton BioMolecular Research
- OSSL_833187

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)	1.61	6.77	-20.11	1	8	0	114	304.258	4	↓ MOL2 SDF SMILES Flexibase

85346810

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065748
Princeton BioMolecular Research
- OSSL_833186

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)	2.36	8.1	-18.27	1	7	0	105	353.128	3	↓ MOL2 SDF SMILES Flexibase

85346807

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065747
Princeton BioMolecular Research
- OSSL_833185

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)	2.23	7.99	-18.45	1	7	0	105	308.677	3	↓ MOL2 SDF SMILES Flexibase

85346805

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Vendors

PBMR Labs Building Blocks
- RBK_065746
Princeton BioMolecular Research
- OSSL_833184

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)	2.00	8.15	-19.53	1	7	0	105	288.259	3	↓ MOL2 SDF SMILES Flexibase

85346803

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065745
Princeton BioMolecular Research
- OSSL_833183

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)	1.99	7.25	-17.77	1	8	0	114	318.285	5	↓ MOL2 SDF SMILES Flexibase

85346801

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065744
Princeton BioMolecular Research
- OSSL_833182

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)	1.61	6.32	-18.2	1	8	0	114	304.258	4	↓ MOL2 SDF SMILES Flexibase

85346799

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065743
Princeton BioMolecular Research
- OSSL_833181

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)	2.00	7.55	-17.28	1	7	0	105	288.259	3	↓ MOL2 SDF SMILES Flexibase

85346798

Analogs

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Vendors

PBMR Labs Building Blocks
- RBK_065742
Princeton BioMolecular Research
- OSSL_833180

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)	2.23	7.42	-17.22	1	7	0	105	308.677	3	↓ MOL2 SDF SMILES Flexibase

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