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ZINC Item

Suppliers, Protomers, & Similar Substances

9915115

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0557

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)	-0.54	-6.16	-31.26	1	9	0	120	397.384	7	↓ MOL2 SDF SMILES Flexibase

9915065

Analogs

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Life Chemicals (Virtual)
- F2815-0498

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)	3.90	-4.06	-21.72	1	5	0	76	426.922	6	↓ MOL2 SDF SMILES Flexibase

9915062

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0497

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	-3.5	-27.15	1	5	0	76	406.504	6	↓ MOL2 SDF SMILES Flexibase

9915060

Analogs

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Life Chemicals (Virtual)
- F2815-0495

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	-3.45	-26.65	1	5	0	76	406.504	6	↓ MOL2 SDF SMILES Flexibase

9915058

Analogs

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Life Chemicals (Virtual)
- F2815-0493

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)	4.13	-4.43	-26.25	1	5	0	76	447.34	6	↓ MOL2 SDF SMILES Flexibase

9915056

Analogs

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Life Chemicals (Virtual)
- F2815-0492

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)	3.90	-4.07	-21.69	1	5	0	76	426.922	6	↓ MOL2 SDF SMILES Flexibase

9915033

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0475

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)	3.10	-2.68	-27.46	1	5	0	76	414.43	6	↓ MOL2 SDF SMILES Flexibase

9915030

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0473

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)	2.31	-5.39	-28.28	1	7	0	102	389.408	7	↓ MOL2 SDF SMILES Flexibase

9915028

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0472

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)	2.99	-5.54	-26.96	1	7	0	102	423.853	7	↓ MOL2 SDF SMILES Flexibase

9915027

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0470

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)	2.35	-5.35	-29.57	1	9	0	121	449.46	9	↓ MOL2 SDF SMILES Flexibase

9915025

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0469

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)	2.35	-4.99	-31.61	1	9	0	120	449.46	9	↓ MOL2 SDF SMILES Flexibase

9915023

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0468

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)	2.37	-5.37	-28.66	1	8	0	111	419.434	8	↓ MOL2 SDF SMILES Flexibase

9915020

Analogs

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Life Chemicals (Virtual)
- F2815-0467

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)	2.34	-5.37	-30.45	1	8	0	111	419.434	8	↓ MOL2 SDF SMILES Flexibase

9915017

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0466

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)	2.32	-5.02	-31.45	1	8	0	111	419.434	8	↓ MOL2 SDF SMILES Flexibase

9915014

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0465

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)	2.47	-4.66	-27.24	1	7	0	102	407.398	7	↓ MOL2 SDF SMILES Flexibase

9915010

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0464

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)	2.94	-5.14	-30.24	1	7	0	102	423.853	7	↓ MOL2 SDF SMILES Flexibase

9915007

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0463

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)	1.67	-4.06	-23.61	2	8	0	118	442.49	9	↓ MOL2 SDF SMILES Flexibase

9915002

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0459

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)	2.24	-2.11	-18.21	1	6	0	89	399.465	9	↓ MOL2 SDF SMILES Flexibase

9914997

Analogs

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Popular Name: methyl methyl

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Vendors

Life Chemicals (Virtual)
- F2815-0457

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)	1.86	-2.08	-18.44	1	6	0	89	385.438	8	↓ MOL2 SDF SMILES Flexibase

9914993

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0454

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)	3.14	-1.93	-20.03	1	4	0	63	349.427	6	↓ MOL2 SDF SMILES Flexibase

9914991

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0450

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)	2.48	-2.05	-20.58	1	4	0	63	339.363	6	↓ MOL2 SDF SMILES Flexibase

9914989

Analogs

9914949

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Vendors

Life Chemicals (Virtual)
- F2815-0449

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)	3.14	-2.16	-20.04	1	4	0	63	349.427	6	↓ MOL2 SDF SMILES Flexibase

1930581

Analogs

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	2.66	-15.96	1	8	0	125	359.363	6	↓ MOL2 SDF SMILES Flexibase

9914984

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0446

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.02	-2.62	-27.66	1	6	0	97	451.475	6	↓ MOL2 SDF SMILES Flexibase

9914982

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0444

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)	2.26	-2.15	-21.34	1	8	0	118	396.396	8	↓ MOL2 SDF SMILES Flexibase

9914980

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0441

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	-2.81	-21.79	1	4	0	63	397.471	6	↓ MOL2 SDF SMILES Flexibase

9914977

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0440

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)	2.19	-2.41	-28.82	1	5	0	80	363.41	7	↓ MOL2 SDF SMILES Flexibase

9914974

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0439

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)	2.21	-2.43	-22.65	1	5	0	80	363.41	7	↓ MOL2 SDF SMILES Flexibase

9914971

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0437

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	-2.92	-18.23	1	4	0	63	390.263	6	↓ MOL2 SDF SMILES Flexibase

9914969

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0436

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)	3.12	-2.02	-20.14	1	4	0	63	349.427	6	↓ MOL2 SDF SMILES Flexibase

9914964

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0432

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)	1.01	-9.04	-28.06	3	7	0	123	400.453	7	↓ MOL2 SDF SMILES Flexibase

9914961

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0431

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)	2.86	-1.7	-22.71	1	6	0	89	393.436	9	↓ MOL2 SDF SMILES Flexibase

9914959

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0430

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)	3.10	-3.55	-21.44	1	4	0	63	400.269	6	↓ MOL2 SDF SMILES Flexibase

9914957

Analogs

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Life Chemicals (Virtual)
- F2815-0429

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)	3.13	-3.55	-19.9	1	4	0	63	400.269	6	↓ MOL2 SDF SMILES Flexibase

9914955

Analogs

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Life Chemicals (Virtual)
- F2815-0426

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)	2.35	-2.77	-23.28	1	5	0	72	351.399	7	↓ MOL2 SDF SMILES Flexibase

9914952

Analogs

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Life Chemicals (Virtual)
- F2815-0425

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)	2.37	-2.78	-21.61	1	5	0	72	351.399	7	↓ MOL2 SDF SMILES Flexibase

9914949

Analogs

9914989

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Life Chemicals (Virtual)
- F2815-0424

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)	2.74	-2.48	-19.85	1	4	0	63	335.4	6	↓ MOL2 SDF SMILES Flexibase

9914946

Analogs

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Life Chemicals (Virtual)
- F2815-0423

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)	2.76	-2.47	-19.97	1	4	0	63	335.4	6	↓ MOL2 SDF SMILES Flexibase

9914943

Analogs

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Life Chemicals (Virtual)
- F2815-0422

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)	2.57	-1.28	-17.38	1	4	0	63	357.353	6	↓ MOL2 SDF SMILES Flexibase

9914939

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0420

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)	2.99	-2.94	-19.91	1	4	0	63	355.818	6	↓ MOL2 SDF SMILES Flexibase

9914936

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0419

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)	2.97	-2.94	-21.58	1	4	0	63	355.818	6	↓ MOL2 SDF SMILES Flexibase

9914934

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0418

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)	2.32	-2.79	-19.92	1	4	0	63	321.373	6	↓ MOL2 SDF SMILES Flexibase

9914930

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0417

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.67	-3.62	-23.48	1	5	0	76	406.504	6	↓ MOL2 SDF SMILES Flexibase

9914928

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0416

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)	3.40	-3.06	-26.74	1	7	0	102	450.513	9	↓ MOL2 SDF SMILES Flexibase

9914926

Analogs

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Popular Name: methyl methyl

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Vendors

Life Chemicals (Virtual)
- F2815-0415

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)	3.02	-3.03	-27.04	1	7	0	102	436.486	8	↓ MOL2 SDF SMILES Flexibase

9914924

Analogs

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Vendors

Life Chemicals (Virtual)
- F2815-0413

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)	3.36	-2.8	-52.46	3	6	1	103	464.608	6	↓ MOL2 SDF SMILES Flexibase

9914919

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0409

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)	2.24	-2.62	-22.88	1	8	0	116	479.555	8	↓ MOL2 SDF SMILES Flexibase

9914917

Analogs

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Popular Name: diethyl diethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0408

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)	2.70	-2.96	-24	1	9	0	119	526.608	11	↓ MOL2 SDF SMILES Flexibase

9914914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0407

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)	2.32	-2.93	-24.2	1	9	0	119	512.581	10	↓ MOL2 SDF SMILES Flexibase

9914912

Analogs

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Popular Name: ethyl ethyl

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Vendors

Life Chemicals (Virtual)
- F2815-0406

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)	1.31	-6.96	-25.41	3	9	0	135	497.57	9	↓ MOL2 SDF SMILES Flexibase

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