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)	-2.77	-5.54	-49.93	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-2.77	-5.47	-49.2	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-2.77	-4.49	-49.62	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase

35024675

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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
Mid Mid (pH 6-8)	-2.71	2.08	-61.33	2	6	-1	98	182.159	4	↓ MOL2 SDF SMILES Flexibase

34294797

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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)	-2.21	0.16	-65.58	3	6	0	103	197.194	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.73	2.82	-62.13	2	6	-1	98	196.186	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.21	1.7	-82.21	4	6	1	104	198.202	4	↓ MOL2 SDF SMILES Flexibase

38200491

Analogs

13219479

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Popular Name: His-His His-His

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Bachem
- G-4595

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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)	-3.88	2.66	-101.42	7	9	1	155	293.307	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.88	1.89	-63	5	9	-1	153	291.291	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.88	2.18	-62.13	6	9	0	154	292.299	7	↓ MOL2 SDF SMILES Flexibase

13219479

Analogs

38200491

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NCI Plated 2007
- 523374

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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)	-3.88	2.76	-101.6	7	9	1	155	293.307	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.88	2.36	-55.69	5	9	-1	153	291.291	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.88	1.93	-52.41	5	9	-1	153	291.291	7	↓ MOL2 SDF SMILES Flexibase

3869231

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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	-1.39	-227.43	1	7	-3	133	183.032	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.38	-2.53	-113.57	2	7	-2	130	184.04	4	↓ MOL2 SDF SMILES Flexibase

3869232

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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	-1.38	-227.49	1	7	-3	133	183.032	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.38	-2.53	-114.1	2	7	-2	130	184.04	4	↓ MOL2 SDF SMILES Flexibase

3870145

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And 51 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)	-0.80	1.7	-214.18	0	6	-3	113	165.017	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.80	0.53	-102.67	1	6	-2	110	166.025	3	↓ MOL2 SDF SMILES Flexibase

1532519

Analogs

1532655

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And 89 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)	-1.48	4.22	-95.01	0	5	-2	97	144.082	4	↓ MOL2 SDF SMILES Flexibase

901470

Analogs

2579857

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Tractus
- TRA0127633

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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)	0.77	0.99	-119.22	0	5	-2	97	220.18	5	↓ MOL2 SDF SMILES Flexibase

13509058

Analogs

1558385

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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)	-0.16	2.58	-112.43	0	4	-2	80	140.094	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.16	1.48	-55.15	1	4	-1	77	141.102	3	↓ MOL2 SDF SMILES Flexibase

12405128

Analogs

13509058
13509337
1558385

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And 8 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)	-0.16	2.31	-98.66	0	4	-2	80	140.094	3	↓ MOL2 SDF SMILES Flexibase

4501410

Analogs

4654603
13525413
3860287

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Popular Name: Mesaconic acid Mesaconic acid

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And 13 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)	-0.13	1.99	-100.65	0	4	-2	80	128.083	2	↓ MOL2 SDF SMILES Flexibase

3860287

Analogs

4501410

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Popular Name: Citraconic acid Citraconic acid

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And 20 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)	-0.13	2.55	-127.37	0	4	-2	80	128.083	2	↓ MOL2 SDF SMILES Flexibase

Analogs

164392

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And 93 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)	0.37	3.51	-45.3	1	3	-1	60	151.141	2	↓ MOL2 SDF SMILES Flexibase

164392

Analogs

36

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And 88 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)	0.37	3.53	-45.2	1	3	-1	60	151.141	2	↓ MOL2 SDF SMILES Flexibase

901781

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And 17 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)	-3.04	-2.25	-55.9	3	5	-1	107	146.122	3	↓ MOL2 SDF SMILES Flexibase

1677332

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And 15 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)	-3.04	-2.29	-54.31	3	5	-1	107	146.122	3	↓ MOL2 SDF SMILES Flexibase

1677331

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And 13 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)	-3.04	-2.29	-54.28	3	5	-1	107	146.122	3	↓ MOL2 SDF SMILES Flexibase

1677333

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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)	-3.04	-2.27	-58.17	3	5	-1	107	146.122	3	↓ MOL2 SDF SMILES Flexibase

5178399

Analogs

1531008

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Popular Name: guluronicacid guluronicacid

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Vendors

BOC Sciences BB
- 15769-56-9

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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)	-2.77	-6.69	-51.79	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase

11616410

Analogs

901090
1531008

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Vendors

FineTech
- FT-0627177
- FT-0624566
Labotest
- LT03328718

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.76	-5.11	-50.41	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase

11616411

Analogs

1531008

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.76	-6.33	-50.29	4	7	-1	138	193.131	5	↓ MOL2 SDF SMILES Flexibase

3869785

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And 10 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)	-3.22	-9.7	-50.49	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

3869786

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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)	-3.22	-10.1	-50.89	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

3869787

Analogs

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Popular Name: Gluconic acid Gluconic acid

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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)	-3.22	-9.67	-50.18	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

2040884

Analogs

3940374
5178399
5783661

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Popular Name: D-Mannonate D-Mannonate

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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)	-3.22	-8.83	-49.26	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

2020485

Analogs

3940374
5178399
5783661
8551134
8551223

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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)	-3.22	-8.61	-51.8	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

5131976

Analogs

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Popular Name: Galactonic acid Galactonic acid

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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)	-3.22	-10.91	-51.51	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

1531008

Analogs

3940374
5178399
5783661
8551134
8551223

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Popular Name: Gluconic Acid Gluconic Acid

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And 58 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)	-3.22	-7.71	-49.91	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

3876031

Analogs

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Alfa-Aesar
- B24561
Labotest
- LT03328485
- LT03328720

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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)	-3.22	-10.81	-50.68	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

5131990

Analogs

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Alfa-Aesar
- B24561
Labotest
- LT03328485
- LT03328720

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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)	-3.22	-9.67	-50.2	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

8551134

Analogs

901090
1531008

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Vendors

Alfa-Aesar
- B24561
Labotest
- LT03328485
- LT03328720

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)	-3.22	-10.1	-50.89	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

3876030

Analogs

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Vendors

Alfa-Aesar
- B24561
FineTech
- FT-0626418
Labotest
- LT03328485
- LT03328720

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)	-3.22	-9.7	-50.48	5	7	-1	141	195.147	5	↓ MOL2 SDF SMILES Flexibase

895289

Analogs

8551175
8551176

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Popular Name: D-arabinonate D-arabinonate

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Vendors

Tractus
- TRA0148756

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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	-8.04	-47.2	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

895290

Analogs

8551175
8551176

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Popular Name: QB-8409 QB-8409

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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
Ref Reference (pH 7)	-2.79	-8.37	-47.16	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

895291

Analogs

8551175
8551176

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Popular Name: L-xylonate L-xylonate

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Vendors

Tractus
- TRA0148756

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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	-7.74	-47.92	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

895294

Analogs

8551175
8551176

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Popular Name: D-arabinonate D-arabinonate

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And 8 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)	-2.79	-8.87	-47.87	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

8551176

Analogs

8551175

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Popular Name: L-arabinonate L-arabinonate

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Vendors

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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	-8.87	-47.88	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

8551175

Analogs

8551176
895289
895290

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Popular Name: D-xylonate D-xylonate

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And 3 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)	-2.79	-7.74	-47.93	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

2568069

Analogs

8551175
8551176

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Popular Name: D-ribonic acid D-ribonic acid

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Vendors

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)	-2.79	-8.04	-47.23	4	6	-1	121	165.121	4	↓ MOL2 SDF SMILES Flexibase

3860635

Analogs

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Popular Name: Mucic acid Mucic acid

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Vendors

And 13 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)	-3.34	-4.4	-97.37	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

13310995

Analogs

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Popular Name: Mucic acid Mucic acid

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Vendors

And 10 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)	-3.34	-4.07	-97.65	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

1532740

Analogs

3940374
5178399
5783661
8551134
8551223

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Popular Name: Mucic acid Mucic acid

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Vendors

And 11 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)	-3.34	-2.51	-97.84	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

5783661

Analogs

1531008

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Popular Name: Glucaric acid Glucaric acid

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Vendors

And 5 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)	-3.34	-7.36	-99.81	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

8551223

Analogs

901090
1531008

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Popular Name: L-idarate L-idarate

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Vendors

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
Ref Reference (pH 7)	-3.34	-6.67	-100.54	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

12359024

Analogs

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Popular Name: Galactaric acid Galactaric acid

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Vendors

And 12 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)	-3.34	-8.52	-100.41	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

13704197

Analogs

901090
1531008

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Popular Name: alaric acid alaric acid

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Vendors

FineTech
- FT-0623389

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)	-3.34	-3.44	-97.28	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

12405009

Analogs

901090
1531008

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Popular Name: L-talarate L-talarate

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Vendors

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)	-3.34	-7.69	-99.91	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

13533920

Analogs

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Popular Name: QA-7325 QA-7325

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Vendors

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
Ref Reference (pH 7)	-3.34	-5.32	-99.81	4	8	-2	161	208.122	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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catalog.name = efidipep
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

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