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)	0.63	2.61	-9.77	2	5	0	75	232.239	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.09	0.7	-36.38	1	5	-1	78	231.231	4	↓ MOL2 SDF SMILES Flexibase

44195874

Analogs

36913117

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Rare Chemicals
- AKHB0001
UORSY Make-on-demand
- PB445293560

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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)	3.60	10.56	-7.45	0	4	0	43	314.392	2	↓ MOL2 SDF SMILES Flexibase

36913190

Analogs

42460121

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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)	1.13	1.31	-8.2	2	4	0	69	213.24	3	↓ MOL2 SDF SMILES Flexibase

5719488

Analogs

9941327
46085274
5341910
117258

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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)	1.88	3.61	-23.05	0	4	0	48	259.305	4	↓ MOL2 SDF SMILES Flexibase

5748999

Analogs

6724633
13483526
35462381
35510660
35510662

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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)	1.54	2.66	-9.63	0	4	0	48	217.224	2	↓ MOL2 SDF SMILES Flexibase

5748963

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Rare Chemicals
- AKHB0016

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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)	1.49	-0.6	-9.88	1	6	0	77	283.287	1	↓ MOL2 SDF SMILES Flexibase

5748864

Analogs

30860213
30860219
44933831
44933834
267668

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Rare Chemicals
- AKHB0018

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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)	0.25	-2.61	-13.23	2	6	0	76	275.308	4	↓ MOL2 SDF SMILES Flexibase

5748865

Analogs

30860213
30860219
44933831
44933834
267668

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Rare Chemicals
- AKHB0018

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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)	0.25	-2.69	-13.41	2	6	0	76	275.308	4	↓ MOL2 SDF SMILES Flexibase

5713251

Analogs

6649937
8937686
9544839
40464598
3277076

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Rare Chemicals
- AKHB0019

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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	1.59	-9.73	0	6	0	66	339.395	5	↓ MOL2 SDF SMILES Flexibase

152734

Analogs

3207266
33893134
33893136
33923076

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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)	2.27	-6.24	-10.61	2	4	0	66	291.372	5	↓ MOL2 SDF SMILES Flexibase

152737

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3207266
33893134
33893136
33923076

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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)	2.27	-6.25	-10.7	2	4	0	66	291.372	5	↓ MOL2 SDF SMILES Flexibase

36913191

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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)	1.41	2.05	-7.92	2	4	0	69	227.267	4	↓ MOL2 SDF SMILES Flexibase

1654199

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And 18 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)	2.39	3.47	-7.5	1	5	0	64	263.293	8	↓ MOL2 SDF SMILES Flexibase

112431

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39119720

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And 53 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)	2.04	1.6	-7.92	0	2	0	37	154.172	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.04	1.67	-34.3	1	2	1	38	155.18	0	↓ MOL2 SDF SMILES Flexibase

3049619

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4541707

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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)	2.29	3.76	-11.75	1	6	0	81	305.33	9	↓ MOL2 SDF SMILES Flexibase

5481266

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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	6.02	-16.55	1	4	0	77	211.224	3	↓ MOL2 SDF SMILES Flexibase

2423855

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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)	2.93	4.57	-10.18	1	7	0	90	335.356	11	↓ MOL2 SDF SMILES Flexibase

5585779

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	4.64	-15.4	1	5	0	85	241.25	5	↓ MOL2 SDF SMILES Flexibase

5589088

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Rare Chemicals
- AKHB0100

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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)	1.24	4.92	-15.94	1	4	0	83	194.197	2	↓ MOL2 SDF SMILES Flexibase

3188459

Analogs

4422835
5210670
159166

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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	0.11	-7.23	1	3	0	38	258.317	4	↓ MOL2 SDF SMILES Flexibase

56497

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4241548

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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)	4.04	7.32	-4.64	1	1	0	20	267.155	2	↓ MOL2 SDF SMILES Flexibase

1807582

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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)	3.20	2.71	-7.09	1	5	0	64	342.189	8	↓ MOL2 SDF SMILES Flexibase

5589951

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Rare Chemicals
- AKHB0204

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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)	3.25	4.08	-12.14	1	3	0	59	245.285	3	↓ MOL2 SDF SMILES Flexibase

5589086

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Rare Chemicals
- AKHB0205

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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)	2.85	3.88	-13.25	1	4	0	71	246.273	3	↓ MOL2 SDF SMILES Flexibase

5584770

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Rare Chemicals
- AKHB0206

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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)	3.79	4.36	-16.2	1	6	0	77	340.379	9	↓ MOL2 SDF SMILES Flexibase

5589167

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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)	2.29	2.78	-11.27	1	3	0	60	248.083	2	↓ MOL2 SDF SMILES Flexibase

5585628

Analogs

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Popular Name: ethyl ethyl

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Rare Chemicals
- AKHB0209

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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)	0.85	7.66	-17.79	1	5	0	68	248.282	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.85	7.92	-44.68	2	5	1	70	249.29	6	↓ MOL2 SDF SMILES Flexibase

5585644

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Popular Name: diethyl diethyl

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Rare Chemicals
- AKHB0210

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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)	2.33	8.96	-9.92	1	6	0	78	292.335	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.33	9.23	-32.72	2	6	1	79	293.343	8	↓ MOL2 SDF SMILES Flexibase

3246440

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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)	-2.03	1.08	-12.31	2	7	0	110	222.204	2	↓ MOL2 SDF SMILES Flexibase

44547608

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Rare Chemicals
- AKHB0212

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.62	3.39	-8.26	2	4	0	69	227.267	3	↓ MOL2 SDF SMILES Flexibase

3086206

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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	-0.38	-6.66	1	2	0	24	354.045	3	↓ MOL2 SDF SMILES Flexibase

4674752

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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)	2.99	4.34	-9.81	1	3	0	60	211.268	3	↓ MOL2 SDF SMILES Flexibase

143708

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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)	1.93	6.31	-10.02	1	3	0	60	183.214	2	↓ MOL2 SDF SMILES Flexibase

44547867

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Popular Name: ethyl ethyl

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Rare Chemicals
- AKHH0005

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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)	0.22	6.31	-6.96	1	8	0	95	306.322	5	↓ MOL2 SDF SMILES Flexibase

44547869

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Popular Name: ethyl ethyl

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Rare Chemicals
- AKHH0007

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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)	2.43	7.63	-10.69	1	7	0	78	354.41	8	↓ MOL2 SDF SMILES Flexibase

44547871

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Popular Name: ethyl ethyl

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Rare Chemicals
- AKHH0008

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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	9.2	-9.11	1	6	0	69	336.395	7	↓ MOL2 SDF SMILES Flexibase

5712396

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Rare Chemicals
- AKHH0012

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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)	5.84	-0.01	-12.09	2	5	0	71	345.439	6	↓ MOL2 SDF SMILES Flexibase

5712428

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- AKHH0012

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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)	5.84	0.04	-13.89	2	5	0	71	345.439	6	↓ MOL2 SDF SMILES Flexibase

5712399

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Rare Chemicals
- AKHH0012

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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)	5.84	0.07	-10.69	2	5	0	71	345.439	6	↓ MOL2 SDF SMILES Flexibase

5712432

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Rare Chemicals
- AKHH0012

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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)	5.84	0.07	-9.48	2	5	0	71	345.439	6	↓ MOL2 SDF SMILES Flexibase

174013

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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)	3.87	1.79	-9.86	0	3	0	43	261.28	0	↓ MOL2 SDF SMILES Flexibase

5720910

Analogs

32099708
36108816
421640

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Rare Chemicals
- AKHH0020
Chembo Pharma
- KB-288422

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)	3.84	-1.65	-8.61	1	3	0	42	299.757	3	↓ MOL2 SDF SMILES Flexibase

5720911

Analogs

32099708
36108816
421640

Draw Identity 99% 90% 80% 70%

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Vendors

Rare Chemicals
- AKHH0020
Chembo Pharma
- KB-288422

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)	3.84	-1.67	-8.59	1	3	0	42	299.757	3	↓ MOL2 SDF SMILES Flexibase

5721051

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Rare Chemicals
- AKHH0021

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)	3.88	-1.65	-10.8	1	4	0	51	329.783	4	↓ MOL2 SDF SMILES Flexibase

5721054

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Rare Chemicals
- AKHH0021

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)	3.88	-1.63	-10.85	1	4	0	51	329.783	4	↓ MOL2 SDF SMILES Flexibase

34148005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Vendors

Rare Chemicals
- AKHH0022

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)	1.75	6.48	-9.55	1	5	0	64	259.309	5	↓ MOL2 SDF SMILES Flexibase

34220040

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Rare Chemicals
- AKHH0024

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)	0.47	3.78	-15.34	1	6	0	76	273.292	2	↓ MOL2 SDF SMILES Flexibase

44547873

Analogs

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Vendors

Rare Chemicals
- AKHH0027
American Custom Chemicals Corp.
- HCH0186814

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)	4.24	9.3	-15.58	1	4	0	69	325.799	3	↓ MOL2 SDF SMILES Flexibase

44196105

Analogs

19691799

Draw Identity 99% 90% 80% 70%

Popular Name: diethyl diethyl

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Vendors

Rare Chemicals
- AKHH0028

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)	5.14	12.34	-13.28	1	5	0	65	389.879	8	↓ MOL2 SDF SMILES Flexibase

5713393

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Rare Chemicals
- AKHH0030

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)	4.05	-1.59	-7.08	1	3	0	42	279.767	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = rare
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 'rare' 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

Permalink

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Embed Link to Results

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