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)	-1.18	4.01	-48.87	0	4	-1	58	139.134	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.18	4.53	-50.01	1	4	0	59	140.142	2	↓ MOL2 SDF SMILES Flexibase

25722461

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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

95953048

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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

18168715

Analogs

3650249
8552145

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Popular Name: D-(-)-Arabinose D-(-)-Arabinose

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AK Scientific
Alfa-Aesar
- A10357

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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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.22	-7.48	-11.99	4	5	98	150.13	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-2.22	-7.36	-11.73	4	5	98	150.13	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-2.22	-5.76	-11.37	4	5	98	150.13	4	↓ MOL2 SDF SMILES Flexibase

56870805

Analogs

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BioSynth
- W-201349
ZereneX Building Blocks
- ZXC002386

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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)	-2.42	4.8	-137.63	6	13	-2	208	457.447	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.42	4.84	-142.05	7	13	-1	210	458.455	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-2.42	2.92	-94.98	8	13	0	207	459.463	9	↓ MOL2 SDF SMILES Flexibase

67267160

Analogs

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Popular Name: ADP ADP

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And 44 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
Hi High (pH 8-9.5)	3.79	9.28	-36.43	1	2	1	8	233.379	3	↓ MOL2 SDF SMILES Flexibase

12402867

Analogs

12402869

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Popular Name: GTP GTP

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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

60094177

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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)	-4.22	-7.52	-180.6	6	19	-3	308	520.157	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-4.53	-4.25	-237.08	6	19	-3	308	520.157	8	↓ MOL2 SDF SMILES Flexibase

12494960

Analogs

31308647
31308651
35000839
35000840
35000842

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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

13585233

Analogs

4228257

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Popular Name: Sapropterin Sapropterin

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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)	-1.15	-4.44	-11.69	7	8	0	136	241.251	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-1.15	-5.1	-20.07	7	8	0	136	241.251	2	↓ MOL2 SDF SMILES Flexibase

8552145

Analogs

18168715
33985865
902219

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Popular Name: L-XYLOSE L-XYLOSE

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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	-5.75	-11.37	4	5	0	98	150.13	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-2.22	-7.36	-11.74	4	5	0	98	150.13	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-3.07	-5.83	-55.66	3	5	-1	101	149.122	4	↓ MOL2 SDF SMILES Flexibase

4261765

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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

12402864

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And 45 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

12402865

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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

1842903

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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

17860482

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Popular Name: ASCORBIC ACID ASCORBIC 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)	-0.93	-9.04	-49.11	4	6	-1	117	175.116	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.12	-4.63	-15.58	2	6	0	107	175.116	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.12	-4.85	-15.15	2	6	0	107	175.116	2	↓ MOL2 SDF SMILES Flexibase

4228257

Analogs

4228258
13585233
13815072
13815079
895154

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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)	-1.15	-5.14	-22.67	7	8	0	136	241.251	2	↓ MOL2 SDF SMILES Flexibase

2539827

Analogs

4228257
4228258

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And 7 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)	-1.15	-5.25	-21.45	7	8	0	136	241.251	2	↓ MOL2 SDF SMILES Flexibase

13515547

Analogs

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Indofine
- 71-1735

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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)	-2.63	9.32	-60.23	0	5	0	66	245.319	9	↓ MOL2 SDF SMILES Flexibase

2390999

Analogs

15721868
36978353
36978355
36978453
36978455

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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)	-4.85	-6.83	-102.87	6	9	-1	180	274.253	9	↓ MOL2 SDF SMILES Flexibase

4546338

Analogs

13509261
13509268
33838793
33838794
4546334

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Popular Name: 5-HETE 5-HETE

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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)	5.26	11.99	-45.99	1	3	-1	60	319.465	14	↓ MOL2 SDF SMILES Flexibase

31155577

Analogs

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Popular Name: 9-HODE 9-HODE

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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)	5.71	11.19	-45.24	1	3	-1	60	295.443	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.71	9.21	-6.87	2	3	0	58	296.451	14	↓ MOL2 SDF SMILES Flexibase

3871295

Analogs

4556502
8860435
14494564
31502614
33820272

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Popular Name: 9-HODE 9-HODE

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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)	5.71	10.97	-45.6	1	3	-1	60	295.443	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.71	8.99	-7.16	2	3	0	58	296.451	14	↓ MOL2 SDF SMILES Flexibase

4629855

Analogs

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Popular Name: 15-KETE 15-KETE

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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)	5.08	14.2	-48.93	0	3	-1	57	317.449	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.08	12.23	-10.83	1	3	0	54	318.457	14	↓ MOL2 SDF SMILES Flexibase

85585122

Analogs

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Popular Name: SM(d18:1/16:0) SM(d18:1/16:0)

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Vendors

Sigma Aldrich (Building Blocks)
- 91553|SIGMA

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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)	8.43	24.67	-56.34	2	8	0	108	703.043	36	↓ MOL2 SDF SMILES Flexibase

4899435

Analogs

4899751
5273580
5273581
5273582
13521513

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Popular Name: H-PRO-HYP-OH H-PRO-HYP-OH

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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	-4.79	-73.46	3	6	0	97	228.248	2	↓ MOL2 SDF SMILES Flexibase

4632132

Analogs

4095813
4543697
4543698
4556656

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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)	2.70	8.56	-103.97	2	6	-2	121	364.438	15	↓ MOL2 SDF SMILES Flexibase

901736

Analogs

5851414
36466335

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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)	-2.64	-4.33	-44.14	3	4	0	76	131.131	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.50	7.8	-23.77	2	9	0	104	505.497	7	↓ MOL2 SDF SMILES Flexibase

901791

Analogs

5851414
36466335

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And 84 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)	-2.64	-4.23	-42.31	3	4	0	76	131.131	1	↓ MOL2 SDF SMILES Flexibase

4655386

Analogs

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Popular Name: 20-HETE 20-HETE

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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)	4.89	10.67	-48.01	1	3	-1	60	319.465	15	↓ MOL2 SDF SMILES Flexibase

1529568

Analogs

2516113

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Popular Name: Tyr-Arg Tyr-Arg

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Vendors

Bachem
- G-2450

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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)	-3.21	0.73	-96.18	10	9	1	181	338.388	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-3.21	0.46	-67.06	9	9	0	179	337.38	10	↓ MOL2 SDF SMILES Flexibase

4027288

Analogs

4262577

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And 28 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)	1.06	0.19	-45.11	4	3	1	57	180.227	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.06	-1.12	-6.08	3	3	0	52	179.219	0	↓ MOL2 SDF SMILES Flexibase

4262577

Analogs

4027288

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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)	1.06	0.2	-45.49	4	3	1	57	180.227	0	↓ MOL2 SDF SMILES Flexibase

12496452

Analogs

12496457
12496461
12496465
33820389
33820390

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Popular Name: 12,13-DiHOME 12,13-DiHOME

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Vendors

American Custom Chemicals Corp.
- CHM0125556
Cayman Chemical
- 10009832

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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	6.89	-47.82	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496457

Analogs

12496461
12496465
33820389
33820390
12496439

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Popular Name: 12,13-DiHOME 12,13-DiHOME

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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	7.46	-47.76	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496461

Analogs

12496465
33820389
33820390
12496439
12496441

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Popular Name: 12,13-DiHOME 12,13-DiHOME

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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	7.46	-47.78	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496465

Analogs

33820389
33820390
12496439
12496441
12496444

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Popular Name: 12,13-DiHOME 12,13-DiHOME

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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	6.89	-47.67	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496439

Analogs

12496441
12496444
12496448
12496452
12496457

Draw Identity 99% 90% 80% 70%

Popular Name: 9,10-DiHOME 9,10-DiHOME

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Vendors

Cayman Chemical
- 53400
- 10009993

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)	4.81	6.89	-47.61	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496441

Analogs

12496444
12496448
12496452
12496457
12496461

Draw Identity 99% 90% 80% 70%

Popular Name: 9,10-DiHOME 9,10-DiHOME

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 53400

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)	4.81	7.45	-47.7	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496444

Analogs

12496448
12496452
12496457
12496461
12496465

Draw Identity 99% 90% 80% 70%

Popular Name: 9,10-DiHOME 9,10-DiHOME

Find On: PubMed — Wikipedia — Google

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)	4.81	7.46	-47.74	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

12496448

Analogs

12496452
12496457
12496461
12496465
33820389

Draw Identity 99% 90% 80% 70%

Popular Name: 9,10-DiHOME 9,10-DiHOME

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 53400
- 10009993

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)	4.81	6.89	-47.68	2	4	-1	81	313.458	15	↓ MOL2 SDF SMILES Flexibase

4097549

Analogs

4544115
4544118
4544119
4544121
4726635

Draw Identity 99% 90% 80% 70%

Popular Name: 12(13)-EpOME 12(13)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	11.85	-46.17	0	3	-1	53	295.443	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.92	9.88	-8.52	1	3	0	50	296.451	14	↓ MOL2 SDF SMILES Flexibase

4726637

Analogs

8860472
8860473
8860474
8860475
31356822

Draw Identity 99% 90% 80% 70%

Popular Name: 12(13)-EpOME 12(13)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.79	-47.86	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

4726636

Analogs

8860472
8860473
8860474
8860475
31356822

Draw Identity 99% 90% 80% 70%

Popular Name: 12(13)-EpOME 12(13)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.79	-48.1	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

4726635

Analogs

8860472
8860473
8860474
8860475
31356822

Draw Identity 99% 90% 80% 70%

Popular Name: 12(13)-EpOME 12(13)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.75	-48.24	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

8860475

Analogs

4097549
4726635
4726636

Draw Identity 99% 90% 80% 70%

Popular Name: 9(10)-EpOME 9(10)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.75	-48.21	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

8860474

Analogs

8860475
31356822
4097549
4544115
4544118

Draw Identity 99% 90% 80% 70%

Popular Name: 9(10)-EpOME 9(10)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.79	-47.88	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

8860473

Analogs

8860474
8860475
31356822
4097549
4544115

Draw Identity 99% 90% 80% 70%

Popular Name: 9(10)-EpOME 9(10)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	0.79	-48.1	0	3	-1	52	295.443	14	↓ MOL2 SDF SMILES Flexibase

8860472

Analogs

8860473
8860474
8860475
31356822
4097549

Draw Identity 99% 90% 80% 70%

Popular Name: 9(10)-EpOME 9(10)-EpOME

Find On: PubMed — Wikipedia — Google

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)	5.92	11.85	-46.29	0	3	-1	53	295.443	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.92	9.88	-8.36	1	3	0	50	296.451	14	↓ MOL2 SDF SMILES Flexibase

4546585

Analogs

4546658
4655428
5510499
12496740
31500007

Draw Identity 99% 90% 80% 70%

Popular Name: 8-HETE 8-HETE

Find On: PubMed — Wikipedia — Google

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)	5.50	11.99	-44.97	1	3	-1	60	319.465	14	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.50	10.02	-7.57	2	3	0	58	320.473	14	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "catalog.name": "csfmetab"        

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