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Default (Public by Ariane_Marielle_Valle) Default Purchasability Report

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

3830982

Analogs

3977952
3978744
4027419
4027420
4095490

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 98 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)	-4.45	-14.67	-16.38	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

3830983

Analogs

3977952
3978744
4027419
4027420
4095490

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 98 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)	-4.45	-13.68	-12.66	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

3830984

Analogs

3977952
3978744
4027419
4027420
4095490

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 93 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)	-4.45	-15.81	-15.06	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

3830985

Analogs

3977952
3978744
4027419
4027420
4095490

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 93 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)	-4.45	-13.73	-11.84	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

3977952

Analogs

3978744
4027419
4027420
4095490
4095709

Draw Identity 99% 90% 80% 70%

Popular Name: Lactulose Lactulose

Find On: PubMed — Wikipedia — Google

Vendors

And 67 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)	-4.53	-16.61	-16.57	8	11	0	190	342.297	5	↓ MOL2 SDF SMILES Flexibase

3978744

Analogs

4027419
4027420
4095490
4095711
4095713

Draw Identity 99% 90% 80% 70%

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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)	-4.45	-15.98	-11.69	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4095490

Analogs

4095711
4095713
4095714
4095761
4095762

Draw Identity 99% 90% 80% 70%

Popular Name: Maltose Maltose

Find On: PubMed — Wikipedia — Google

Vendors

And 37 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)	-4.45	-17	-12.25	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4095713

Analogs

4095714
4095761
4095762
4095793
4095987

Draw Identity 99% 90% 80% 70%

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Vendors

And 18 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)	-3.75	-17.48	-16.84	8	11	0	190	342.297	5	↓ MOL2 SDF SMILES Flexibase

4095714

Analogs

4095761
4095762
4095793
4095987
4096700

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 18 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)	-3.75	-16.87	-18.23	8	11	0	190	342.297	5	↓ MOL2 SDF SMILES Flexibase

4095761

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: Lactose Lactose

Find On: PubMed — Wikipedia — Google

Vendors

And 332 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)	-3.43	-19.59	-11.26	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

4095762

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: Maltose Maltose

Find On: PubMed — Wikipedia — Google

Vendors

And 172 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)	-4.45	-17.12	-11.12	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4095793

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 141 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)	-3.43	-19.4	-12.93	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

4095987

Analogs

3830982

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)	-3.43	-19.69	-12.28	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

4096703

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: MELIBIOSE MELIBIOSE

Find On: PubMed — Wikipedia — Google

Vendors

And 37 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)	-4.30	-16.36	-11.21	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4096704

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: melibiose melibiose

Find On: PubMed — Wikipedia — Google

Vendors

And 22 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)	-4.30	-16.23	-12.24	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4097113

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: cellobiose cellobiose

Find On: PubMed — Wikipedia — Google

Vendors

And 112 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)	-3.43	-19.94	-10.57	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

4097481

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: Gentiobiose Gentiobiose

Find On: PubMed — Wikipedia — Google

Vendors

And 20 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)	-4.30	-17.03	-10.05	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4097487

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: Rutinose Rutinose

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)	-3.34	-18.14	-11.86	7	10	0	169	326.298	3	↓ MOL2 SDF SMILES Flexibase

4228250

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: ISOMALTOSE ISOMALTOSE

Find On: PubMed — Wikipedia — Google

Vendors

And 19 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)	-4.30	-16.94	-11.92	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4228251

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: ISOMALTOSE ISOMALTOSE

Find On: PubMed — Wikipedia — Google

Vendors

And 20 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)	-4.30	-16.83	-12.75	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4261771

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: D-Cellobiose D-Cellobiose

Find On: PubMed — Wikipedia — Google

Vendors

BioSynth
- C-2600
PubChem
- 11886768

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)	-4.45	-15.97	-14.75	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4261772

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: D-Cellobiose D-Cellobiose

Find On: PubMed — Wikipedia — Google

Vendors

BioSynth
- C-2600
PubChem
- 11886769

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)	-4.45	-13.71	-13.06	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

4544390

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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)	-3.58	-16.84	-13.72	7	11	0	178	370.351	6	↓ MOL2 SDF SMILES Flexibase

4544392

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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)	-3.58	-16.81	-13.21	7	11	0	178	370.351	6	↓ MOL2 SDF SMILES Flexibase

4544395

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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)	-3.58	-17.5	-12.17	7	11	0	178	370.351	6	↓ MOL2 SDF SMILES Flexibase

4544398

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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)	-3.58	-17.27	-12.36	7	11	0	178	370.351	6	↓ MOL2 SDF SMILES Flexibase

5222455

Analogs

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)	-4.45	-17.04	-13.33	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

5222464

Analogs

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)	-4.45	-16.93	-14.88	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

5224152

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Alfa-Aesar
- 36218
PubChem
- 11908450

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)	-3.43	-19.73	-14.24	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

5224724

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Alfa-Aesar
- A14553
PubChem
- 7156899

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)	-3.43	-19.79	-11.92	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

5224729

Analogs

Draw Identity 99% 90% 80% 70%

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)	-3.43	-18.44	-14.39	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

5224732

Analogs

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)	-3.43	-19.79	-14.6	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

5224845

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Alfa-Aesar
- A16266
PubChem
- 11908489

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)	-3.43	-19.88	-13.94	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

8586495

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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Vendors

And 6 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)	-3.65	-19.44	-15.95	8	11	0	189	342.297	5	↓ MOL2 SDF SMILES Flexibase

8586496

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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Vendors

And 6 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)	-3.65	-19.75	-16.38	8	11	0	189	342.297	5	↓ MOL2 SDF SMILES Flexibase

8586497

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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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)	-4.53	-16.58	-15.57	8	11	0	190	342.297	5	↓ MOL2 SDF SMILES Flexibase

8738281

Analogs

3830982

Draw Identity 99% 90% 80% 70%

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Vendors

And 6 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)	-3.65	-19.76	-15.21	8	11	0	189	342.297	5	↓ MOL2 SDF SMILES Flexibase

8738373

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 221 221

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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)	-2.95	-19.09	-14.67	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

8738375

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 221 221

Find On: PubMed — Wikipedia — Google

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)	-2.95	-19.76	-14.07	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

8738376

Analogs

3830982

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Popular Name: 221 221

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And 10 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)	-2.95	-19.12	-14.25	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

8782776

Analogs

3830982

Draw Identity 99% 90% 80% 70%

Popular Name: 221 221

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Vendors

And 11 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)	-2.95	-18.92	-14.84	8	11	0	189	342.297	4	↓ MOL2 SDF SMILES Flexibase

8952511

Analogs

3830982

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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)	-4.53	-17.8	-14.15	8	11	0	190	342.297	5	↓ MOL2 SDF SMILES Flexibase

12358624

Analogs

34933708
34933709
34933711
34933713

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Vendors

PubChem
- 42552637

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)	-0.29	-2.22	-10.48	0	11	0	102	454.513	12	↓ MOL2 SDF SMILES Flexibase

12358625

Analogs

34933708
34933709
34933711
34933713

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Vendors

PubChem
- 42552638

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)	-0.29	-2.48	-9.59	0	11	0	102	454.513	12	↓ MOL2 SDF SMILES Flexibase

12358626

Analogs

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Vendors

PubChem
- 42552639

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)	-0.29	-1.93	-8.75	0	11	0	102	454.513	12	↓ MOL2 SDF SMILES Flexibase

12358627

Analogs

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Vendors

PubChem
- 42552640

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)	-0.29	-2.61	-10	0	11	0	102	454.513	12	↓ MOL2 SDF SMILES Flexibase

12358676

Analogs

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Vendors

Alfa-Aesar
- A11074
PubChem
- 42552662

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)	-4.45	-19.65	-11.43	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

12358755

Analogs

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Vendors

Alfa-Aesar
- A14553
PubChem
- 42552694

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)	-4.45	-19.49	-12.89	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

12358757

Analogs

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Vendors

Alfa-Aesar
- A14553
PubChem
- 42552696

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)	-4.45	-19.35	-13.22	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase

12358758

Analogs

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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)	-4.45	-19.68	-12.12	8	11	0	190	342.297	4	↓ MOL2 SDF SMILES Flexibase