ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

3977944

Analogs

3874182
3874181
3860508

Draw Identity 99% 90% 80% 70%

Popular Name: MEDRYSONE MEDRYSONE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01500380
MicroSource US Drugs
- 01500380

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)	3.37	8.66	-12.62	1	3	0	54	344.495	1	↓ MOL2 SDF SMILES Flexibase

3977945

Analogs

3874182
3874181
3860508

Draw Identity 99% 90% 80% 70%

Popular Name: Medrysone Medrysone

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

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)	3.37	9.07	-10.95	1	3	0	54	344.495	1	↓ MOL2 SDF SMILES Flexibase

3977946

Analogs

3874182
3874181
3860508

Draw Identity 99% 90% 80% 70%

Popular Name: MEDRYSONE MEDRYSONE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01500380
MicroSource US Drugs
- 01500380

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)	3.37	7.91	-11	1	3	0	54	344.495	1	↓ MOL2 SDF SMILES Flexibase

3977947

Analogs

3874182
3874181
3860508

Draw Identity 99% 90% 80% 70%

Popular Name: MEDRYSONE MEDRYSONE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01500380
MicroSource US Drugs
- 01500380

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)	3.37	8.88	-11.74	1	3	0	54	344.495	1	↓ MOL2 SDF SMILES Flexibase

5232351

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 3 More

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)	4.09	11.67	-16.33	0	4	0	60	384.516	3	↓ MOL2 SDF SMILES Flexibase

5232345

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 3 More

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)	4.09	3.88	-12.95	0	4	0	60	384.516	3	↓ MOL2 SDF SMILES Flexibase

3874191

Analogs

3938628
4025285
4025286
4025288
4097467

Draw Identity 99% 90% 80% 70%

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Vendors

And 10 More

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)	4.09	11.66	-16.63	0	4	0	60	384.516	3	↓ MOL2 SDF SMILES Flexibase

3874190

Analogs

3938628
4025285
4025286
4025288
4097467

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

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)	4.09	11.6	-14.89	0	4	0	60	384.516	3	↓ MOL2 SDF SMILES Flexibase

3978039

Analogs

35566795
35566797
3882052

Draw Identity 99% 90% 80% 70%

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Vendors

And 4 More

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)	4.18	9.07	-17.34	2	6	0	101	476.585	7	↓ MOL2 SDF SMILES Flexibase

3978040

Analogs

35566795
35566797
3882052

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

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)	4.18	9.54	-16.16	2	6	0	101	476.585	7	↓ MOL2 SDF SMILES Flexibase

3978041

Analogs

35566795
35566797
3882052

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01500145
MicroSource US Drugs
- 01500145

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)	4.18	8.51	-18.5	2	6	0	101	476.585	7	↓ MOL2 SDF SMILES Flexibase

3978042

Analogs

35566795
35566797
3882052

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01500145
MicroSource US Drugs
- 01500145

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)	4.18	8.61	-18.36	2	6	0	101	476.585	7	↓ MOL2 SDF SMILES Flexibase

3983870

Analogs

1041244

Draw Identity 99% 90% 80% 70%

Popular Name: TESTOSTERONE TESTOSTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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)	3.25	7.03	-7	1	2	0	37	288.431	0	↓ MOL2 SDF SMILES Flexibase

3983871

Analogs

1041244

Draw Identity 99% 90% 80% 70%

Popular Name: TESTOSTERONE TESTOSTERONE

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)	3.25	7.03	-6.99	1	2	0	37	288.431	0	↓ MOL2 SDF SMILES Flexibase

3983872

Analogs

1041244

Draw Identity 99% 90% 80% 70%

Popular Name: TESTOSTERONE TESTOSTERONE

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

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)	3.25	7.19	-7.37	1	2	0	37	288.431	0	↓ MOL2 SDF SMILES Flexibase

6500184

Analogs

11592545
11592546
103270
490793

Draw Identity 99% 90% 80% 70%

Popular Name: Testosterone Testosterone

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

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)	3.25	7.07	-7.05	1	2	0	37	288.431	0	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.99	5.16	-4.08	2	2	0	40	288.431	0	↓ MOL2 SDF SMILES Flexibase

3977931

Analogs

1849618

Draw Identity 99% 90% 80% 70%

Popular Name: norgestrel norgestrel

Find On: PubMed — Wikipedia — Google

Vendors

AK Scientific
- H078
MicroSource Pharmakon
- 01502355
- 01500441
MicroSource US Drugs
- 01502355
- 01500441

And 1 More

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)	3.57	8.65	-7.53	1	2	0	37	312.453	1	↓ MOL2 SDF SMILES Flexibase

3977930

Analogs

1849618

Draw Identity 99% 90% 80% 70%

Popular Name: norgestrel norgestrel

Find On: PubMed — Wikipedia — Google

Vendors

AK Scientific
- H078
MicroSource Pharmakon
- 01502355
- 01500441
MicroSource US Drugs
- 01502355
- 01500441

And 1 More

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)	3.57	8.58	-8.13	1	2	0	37	312.453	1	↓ MOL2 SDF SMILES Flexibase

3814395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Levonorgestrel Levonorgestrel

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Vendors

And 27 More

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)	3.56	8.77	-8.33	1	2	0	37	312.453	1	↓ MOL2 SDF SMILES Flexibase

3977932

Analogs

1849618

Draw Identity 99% 90% 80% 70%

Popular Name: LEVONORGESTREL LEVONORGESTREL

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)	3.57	8.32	-8.99	1	2	0	37	312.453	1	↓ MOL2 SDF SMILES Flexibase

3871492

Analogs

4095858
5765114
5765115
5921400
9213625

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 31 More

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)	9.04	15.88	-4.71	1	2	0	29	430.717	12	↓ MOL2 SDF SMILES Flexibase

2083220

Analogs

4095858
5765114
5765115
5921400
9213625

Draw Identity 99% 90% 80% 70%

Popular Name: Vitamin E Vitamin E

Find On: PubMed — Wikipedia — Google

Vendors

And 28 More

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)	9.04	15.94	-4.65	1	2	0	29	430.717	12	↓ MOL2 SDF SMILES Flexibase

3871493

Analogs

4095858
5765114
5765115
5921400
9213625

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

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)	9.04	15.87	-4.66	1	2	0	29	430.717	12	↓ MOL2 SDF SMILES Flexibase

3871494

Analogs

4095858
5765114
5765115
5921400
9213625

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 24 More

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)	9.04	15.93	-4.75	1	2	0	29	430.717	12	↓ MOL2 SDF SMILES Flexibase

3871495

Analogs

4172337
11616507
11616508
34581557

Draw Identity 99% 90% 80% 70%

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Vendors

And 9 More

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)	8.96	19.84	-8.46	0	3	0	36	472.754	14	↓ MOL2 SDF SMILES Flexibase

3871496

Analogs

4172337
11616507
11616508
34581557

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

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)	8.96	19.81	-8.63	0	3	0	36	472.754	14	↓ MOL2 SDF SMILES Flexibase

3871497

Analogs

4172337
11616507
11616508
34581557

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

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)	8.96	19.83	-8.59	0	3	0	36	472.754	14	↓ MOL2 SDF SMILES Flexibase

3871498

Analogs

4172337
11616507
11616508
34581557

Draw Identity 99% 90% 80% 70%

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Vendors

And 11 More

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)	8.96	19.8	-8.64	0	3	0	36	472.754	14	↓ MOL2 SDF SMILES Flexibase

57522

Analogs

31484163

Draw Identity 99% 90% 80% 70%

Popular Name: Tolnaftate Tolnaftate

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Vendors

And 29 More

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)	5.74	11.8	-10.71	0	2	0	12	307.418	4	↓ MOL2 SDF SMILES Flexibase

57340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: METHOCARBAMOL METHOCARBAMOL

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Vendors

And 24 More

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)	0.45	-1.29	-12.85	3	6	0	91	241.243	7	↓ MOL2 SDF SMILES Flexibase

57341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: METHOCARBAMOL METHOCARBAMOL

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Vendors

And 23 More

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)	0.45	-1.29	-12.84	3	6	0	91	241.243	7	↓ MOL2 SDF SMILES Flexibase

3960338

Analogs

7031

Draw Identity 99% 90% 80% 70%

Popular Name: Ramelteon Ramelteon

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Vendors

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)	2.43	6.64	-10.06	1	3	0	38	259.349	4	↓ MOL2 SDF SMILES Flexibase

49142

Analogs

5345252
32106291

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Popular Name: Sulfameter Sulfameter

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And 30 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)	0.38	1.58	-12.67	3	7	0	107	280.309	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.38	1.25	-52.72	2	7	-1	109	279.301	4	↓ MOL2 SDF SMILES Flexibase

52957434

Analogs

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Popular Name: Olanzapine Olanzapine

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And 37 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)	3.47	6.89	-8.12	1	4	0	35	312.442	1	↓ MOL2 SDF SMILES Flexibase

3881944

Analogs

3831086
3831087

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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)	2.07	3.12	-16.05	3	5	0	95	374.477	2	↓ MOL2 SDF SMILES Flexibase

3875560

Analogs

Draw Identity 99% 90% 80% 70%

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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)	2.07	3.59	-15.94	3	5	0	95	374.477	2	↓ MOL2 SDF SMILES Flexibase

3881945

Analogs

3831086
3831087

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	3.85	-16.4	3	5	0	95	374.477	2	↓ MOL2 SDF SMILES Flexibase

3881946

Analogs

3831086
3831087

Draw Identity 99% 90% 80% 70%

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	3.49	-16.25	3	5	0	95	374.477	2	↓ MOL2 SDF SMILES Flexibase

38166911

Analogs

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Popular Name: FLURANDRENOLIDE FLURANDRENOLIDE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01501175
MicroSource US Drugs
- 01501175

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)	2.61	5.79	-16.63	2	6	0	93	436.52	2	↓ MOL2 SDF SMILES Flexibase

38166912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: FLURANDRENOLIDE FLURANDRENOLIDE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01501175
MicroSource US Drugs
- 01501175

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)	2.61	6.05	-19.86	2	6	0	93	436.52	2	↓ MOL2 SDF SMILES Flexibase

3977851

Analogs

3977853
4097308
8035285
8602519
8602521

Draw Identity 99% 90% 80% 70%

Popular Name: FLURANDRENOLIDE FLURANDRENOLIDE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01501175
MicroSource US Drugs
- 01501175

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)	2.61	4.99	-15.14	2	6	0	93	436.52	2	↓ MOL2 SDF SMILES Flexibase

3977853

Analogs

4097308
8035285
8602519
8602521
8606261

Draw Identity 99% 90% 80% 70%

Popular Name: FLURANDRENOLIDE FLURANDRENOLIDE

Find On: PubMed — Wikipedia — Google

Vendors

MicroSource Pharmakon
- 01501175
MicroSource US Drugs
- 01501175

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)	2.61	5.3	-15.78	2	6	0	93	436.52	2	↓ MOL2 SDF SMILES Flexibase

3812874

Analogs

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Popular Name: Piracetam Piracetam

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Vendors

And 41 More

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)	-1.20	-0.34	-14.81	2	4	0	63	142.158	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	-0.89	-2.35	-10.4	2	4	0	64	142.158	2	↓ MOL2 SDF SMILES Flexibase

901552

Analogs

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Popular Name: Dimercaprol Dimercaprol

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Vendors

And 17 More

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)	0.31	-0.07	-2.95	1	1	0	20	124.23	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	0.47	-38.82	1	1	-1	20	123.222	2	↓ MOL2 SDF SMILES Flexibase

901555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Dimercaprol Dimercaprol

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Vendors

And 11 More

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)	0.31	-0.02	-4.26	1	1	0	20	124.23	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	0.52	-43.59	1	1	-1	20	123.222	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.31	0.5	-43.08	1	1	-1	20	123.222	2	↓ MOL2 SDF SMILES Flexibase

1532566

Analogs

3881805
3881806
9223154

Draw Identity 99% 90% 80% 70%

Popular Name: GLUCONOLACTONE GLUCONOLACTONE

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Vendors

And 2 More

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)	-2.11	-7.41	-10.16	4	6	0	107	178.14	1	↓ MOL2 SDF SMILES Flexibase

1567243

Analogs

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Popular Name: DL-Panthenol DL-Panthenol

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Vendors

And 29 More

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)	-1.06	-4.18	-8.88	4	5	0	90	205.254	6	↓ MOL2 SDF SMILES Flexibase

1530303

Analogs

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Popular Name: Dexpanthenol Dexpanthenol

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Vendors

And 51 More

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)	-1.06	-4.06	-8.96	4	5	0	90	205.254	6	↓ MOL2 SDF SMILES Flexibase

3831332

Analogs

12503234
36378000

Draw Identity 99% 90% 80% 70%

Popular Name: Vitamin K1 Vitamin K1

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Vendors

And 24 More

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)	8.80	19.6	-5.6	0	2	0	34	450.707	14	↓ MOL2 SDF SMILES Flexibase

6481

Analogs

2536946

Draw Identity 99% 90% 80% 70%

Popular Name: Riluzole Riluzole

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Vendors

And 64 More

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)	2.92	2.99	-5.52	2	3	0	48	234.202	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

//zinc12.docking.org/results/combination?catalog.name=smdcpharmakon&filter.purchasability=purchasable

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": "smdcpharmakon"        

    });
</script>