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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

4016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ipriflavone Ipriflavone

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And 21 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)	4.31	9.2	-9.43	0	3	0	39	280.323	3	↓ MOL2 SDF SMILES Flexibase

4098633

Analogs

4543423
4543426
5923201
5923204
5923206

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Popular Name: POLYDATIN POLYDATIN

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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	-5.71	-12.37	6	8	0	140	390.388	5	↓ MOL2 SDF SMILES Flexibase

6037057

Analogs

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Popular Name: Pregnanetriol Pregnanetriol

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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)	3.42	-4.58	-4.45	3	3	0	60	336.516	1	↓ MOL2 SDF SMILES Flexibase

4339260

Analogs

4339269
5425202
13469966
4339255

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Popular Name: ISOPILOSINE ISOPILOSINE

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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)	-0.30	-0.01	-14.57	1	5	0	64	286.331	4	↓ MOL2 SDF SMILES Flexibase

5924106

Analogs

13832891
26891987

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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)	2.06	3.97	-12.98	2	7	0	102	364.357	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.06	4.75	-41.09	1	7	-1	104	363.349	1	↓ MOL2 SDF SMILES Flexibase

4262105

Analogs

39936
2169822

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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
Ref Reference (pH 7)	1.66	-5.12	-8.85	1	6	0	66	260.286	1	↓ MOL2 SDF SMILES Flexibase

13541008

Analogs

15657699
5274115
5274116
5274117
5274118

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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)	-4.45	-15.52	-14.19	8	11	0	197	342.297	8	↓ MOL2 SDF SMILES Flexibase

1702656

Analogs

1702657
1702658
1702659

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And 34 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)	-1.52	-6.24	-10.13	3	4	0	77	134.131	4	↓ MOL2 SDF SMILES Flexibase

3798064

Analogs

11616249
1545060

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Popular Name: Cladribine Cladribine

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And 19 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)	0.10	-2.49	-11.31	4	8	0	119	285.691	2	↓ MOL2 SDF SMILES Flexibase

1529249

Analogs

1562121
4544007

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And 52 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)	1.01	3.97	-13.6	2	5	0	76	251.282	6	↓ MOL2 SDF SMILES Flexibase

882

Analogs

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Popular Name: Adenine Adenine

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And 170 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)	0.24	2.02	-9.53	3	5	0	80	135.13	0	↓ MOL2 SDF SMILES Flexibase

3977779

Analogs

7999040
16940636
43278973
3872623

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Popular Name: FORSKOLIN FORSKOLIN

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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
Ref Reference (pH 7)	1.71	4.52	-9.24	3	7	0	113	410.507	3	↓ MOL2 SDF SMILES Flexibase

3881977

Analogs

401445
3814360

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Popular Name: MESTEROLONE MESTEROLONE

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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)	3.90	-0.01	-5.94	1	2	0	37	304.474	0	↓ MOL2 SDF SMILES Flexibase

3833954

Analogs

3978254
3978255
4073949
4081038
4081040

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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)	4.17	-0.14	-5.93	1	2	0	37	318.501	1	↓ MOL2 SDF SMILES Flexibase

2539734

Analogs

4073899
4083819
4282201
4282211
4282235

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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)	1.11	1.02	-17.31	3	7	0	109	322.313	2	↓ MOL2 SDF SMILES Flexibase

4204382

Analogs

4261918
5227082
5227086
5227089
5227094

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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
Ref Reference (pH 7)	-0.48	2.49	-22.79	1	11	0	143	389.357	10	↓ MOL2 SDF SMILES Flexibase

1532709

Analogs

3861798
4353142
4353143
16029708

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.34	-6.88	-11.21	3	5	0	86	148.114	1	↓ MOL2 SDF SMILES Flexibase

119978

Analogs

3978494
8681596
8681597

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And 23 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)	1.37	-4.3	-13.35	5	6	0	110	290.271	1	↓ MOL2 SDF SMILES Flexibase

119983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Catechin Catechin

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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)	1.37	-4.94	-11.51	5	6	0	110	290.271	1	↓ MOL2 SDF SMILES Flexibase

119985

Analogs

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And 25 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)	1.37	-4.98	-12.32	5	6	0	110	290.271	1	↓ MOL2 SDF SMILES Flexibase

119988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Epicatechin Epicatechin

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And 43 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)	1.37	-4.31	-13.19	5	6	0	110	290.271	1	↓ MOL2 SDF SMILES Flexibase

3780893

Analogs

3984042
4245612
4245664
4521332
26504552

Draw Identity 99% 90% 80% 70%

Popular Name: Simvastatin Simvastatin

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Vendors

And 47 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)	4.76	11.51	-13.61	1	5	0	73	418.574	7	↓ MOL2 SDF SMILES Flexibase

4282211

Analogs

519405
1070096
2047175

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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)	0.10	-8.03	-17.69	4	8	0	129	338.312	3	↓ MOL2 SDF SMILES Flexibase

4282201

Analogs

2387029

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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)	0.10	-8.09	-17.8	4	8	0	129	338.312	3	↓ MOL2 SDF SMILES Flexibase

15657722

Analogs

4264788
4264790

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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)	3.42	3.13	-4.1	3	3	0	61	336.516	1	↓ MOL2 SDF SMILES Flexibase

3881387

Analogs

394228
968209
1041202
2111830

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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)	4.81	2.14	-4.04	0	1	0	17	274.448	0	↓ MOL2 SDF SMILES Flexibase

31771386

Analogs

3995861

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Popular Name: PICROTOXIN PICROTOXIN

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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)	-2.23	-0.56	-16.55	2	7	0	106	310.302	1	↓ MOL2 SDF SMILES Flexibase

19594599

Analogs

33756547
2165

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And 41 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)	3.64	7.82	-4.17	0	1	0	3	263.793	2	↓ MOL2 SDF SMILES Flexibase

3872178

Analogs

21299910
607702

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Popular Name: CYPERMETHRIN CYPERMETHRIN

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And 23 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)	6.39	14.12	-8.18	0	4	0	59	416.304	7	↓ MOL2 SDF SMILES Flexibase

3872177

Analogs

21299910
607702

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Popular Name: CYPERMETHRIN CYPERMETHRIN

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And 26 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)	6.39	14.19	-8.81	0	4	0	59	416.304	7	↓ MOL2 SDF SMILES Flexibase

2526765

Analogs

21299910
607702

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Popular Name: CYPERMETHRIN CYPERMETHRIN

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And 19 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)	6.39	14.2	-9.47	0	4	0	59	416.304	7	↓ MOL2 SDF SMILES Flexibase

1996306

Analogs

21299910
607702

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Popular Name: CYPERMETHRIN CYPERMETHRIN

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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)	6.39	14.13	-8.57	0	4	0	59	416.304	7	↓ MOL2 SDF SMILES Flexibase

5762619

Analogs

22061608
22061611
402983
4556553
4556554

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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)	-1.08	-8.65	-19.86	4	10	0	137	323.309	2	↓ MOL2 SDF SMILES Flexibase

895313

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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)	-1.14	-3.19	-9.49	2	3	0	58	90.078	2	↓ MOL2 SDF SMILES Flexibase

1760169

Analogs

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Popular Name: L-erythrose L-erythrose

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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)	-1.79	-5.8	-9.04	3	4	0	77	120.104	3	↓ MOL2 SDF SMILES Flexibase

12341762

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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	-2.14	-6.43	2	2	0	40	154.256	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.33	-1.28	-96.44	2	2	-2	40	152.24	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.33	-1.66	-37.68	2	2	-1	40	153.248	3	↓ MOL2 SDF SMILES Flexibase

3861573

Analogs

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Popular Name: D-LYXOSE D-LYXOSE

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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)	-2.22	-8.29	-9.03	4	5	0	90	150.13	0	↓ MOL2 SDF SMILES Flexibase

1529213

Analogs

1529214
1529215
1532561
1532575
1532588

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Popular Name: D-LYXOSE D-LYXOSE

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And 33 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)	-2.22	-7.89	-8.1	4	5	0	90	150.13	0	↓ MOL2 SDF SMILES Flexibase

18068098

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Popular Name: Xylitol Xylitol

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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)	-2.67	-8.82	-10.23	5	5	0	101	152.146	4	↓ MOL2 SDF SMILES Flexibase

3875364

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Popular Name: ETIOCHOLANOLONE ETIOCHOLANOLONE

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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)	3.43	6.62	-6.45	1	2	0	37	290.447	0	↓ MOL2 SDF SMILES Flexibase

15020082

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4282267

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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)	0.53	0.02	-20.32	3	7	0	109	308.286	2	↓ MOL2 SDF SMILES Flexibase

15657721

Analogs

5381363
5381365

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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)	4.96	10.31	-9.63	1	4	0	59	371.521	3	↓ MOL2 SDF SMILES Flexibase

129507

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3196016
3196692
34937975

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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)	2.59	4.17	-15.4	0	4	0	57	232.235	3	↓ MOL2 SDF SMILES Flexibase

19735186

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23583904
23583907

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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	3.89	-5.57	2	2	0	28	186.258	0	↓ MOL2 SDF SMILES Flexibase

19735187

Analogs

23583904
23583907

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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	3.95	-7.13	2	2	0	28	186.258	0	↓ MOL2 SDF SMILES Flexibase

15657720

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22050941
22050945
22050959
38599965
38599968

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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)	-0.65	-4.35	-10.15	4	6	0	99	270.281	4	↓ MOL2 SDF SMILES Flexibase

5438608

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1320079

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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	-3.37	-16.72	4	7	0	108	297.307	4	↓ MOL2 SDF SMILES Flexibase

6067783

Analogs

4015090

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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)	2.90	-4.56	-8.74	3	4	0	77	350.499	2	↓ MOL2 SDF SMILES Flexibase

3875358

Analogs

4096117
4096155
4096741
4096742
4096743

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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)	1.80	-4.7	-10.84	3	5	0	94	364.482	2	↓ MOL2 SDF SMILES Flexibase

1736021

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1736017

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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)	-3.20	4.67	-34.14	0	3	1	26	160.237	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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page.num = 1
catalog.name = seqchem
filter.purchasability = purchasable

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  WHERE c.free = 1 AND c.short_name LIKE 'seqchem' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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