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

59211177

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	1.28	9.15	-26.54	1	7	0	93	434.473	6	↓ MOL2 SDF SMILES Flexibase

59211178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	1.28	7.98	-25.63	1	7	0	93	434.473	6	↓ MOL2 SDF SMILES Flexibase

59211180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	1.28	8.03	-40.08	1	7	0	93	434.473	6	↓ MOL2 SDF SMILES Flexibase

59211181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	1.28	8.2	-27.96	1	7	0	93	434.473	6	↓ MOL2 SDF SMILES Flexibase

59211221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.70	11.46	-40.79	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.70	13.11	-30.99	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.70	11.69	-25	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.70	11.42	-25.31	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	6.07	12.36	-38.41	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	6.07	13.98	-28.59	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	6.07	12.55	-22.71	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	6.07	12.31	-23.08	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.73	12.05	-41.96	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.73	13.69	-30.81	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.73	12.27	-24.62	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.73	12.01	-24.89	1	9	0	115	617.749	11	↓ MOL2 SDF SMILES Flexibase

59211284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.39	10.51	-39.48	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.39	12.13	-29.48	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.39	10.71	-23.34	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	5.39	10.45	-23.7	1	10	0	128	618.737	11	↓ MOL2 SDF SMILES Flexibase

59211291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	2.83	10.68	-23.05	1	7	0	93	594.281	7	↓ MOL2 SDF SMILES Flexibase

59211292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	2.83	9.65	-23.49	1	7	0	93	594.281	7	↓ MOL2 SDF SMILES Flexibase

59211293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	2.83	9.32	-22.21	1	7	0	93	594.281	7	↓ MOL2 SDF SMILES Flexibase

59211294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

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)	2.83	9.38	-36.75	1	7	0	93	594.281	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 194639
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 194639 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=194639&filter.purchasability=annotated

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', {
        "ring.id": "194639"        

    });
</script>

ZINC 12

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