ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.32	Binding ≤ 10μM
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.30	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.26	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	370	0.24	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.25	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.24	Binding ≤ 10μM
OXYR-2-E	Oxytocin Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8	0.31	Functional ≤ 10μM

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)	1.47	-9.88	-61.78	4	9	1	131	555.787	9	↓ MOL2 SDF SMILES Flexibase

4847333

Analogs

38401134

Draw Identity 99% 90% 80% 70%

Popular Name: LS-192629 LS-192629

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- API0013731

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	135	0.27	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	170	0.27	Binding ≤ 10μM

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	9.93	-20.58	2	7	0	91	471.557	7	↓ MOL2 SDF SMILES Flexibase

64491763

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-71133

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	210	0.37	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	330	0.36	Binding ≤ 10μM

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	6.38	-9.94	1	5	0	62	338.407	4	↓ MOL2 SDF SMILES Flexibase

829980

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	90	0.32	Binding ≤ 10μM

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)	3.26	6.37	-23.82	2	8	0	112	434.477	6	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.26	6.26	-31.91	2	8	0	112	434.477	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.71	4.63	-56.61	1	8	-1	115	433.469	6	↓ MOL2 SDF SMILES Flexibase

829773

Analogs

1192101
16226943
16227484

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.36	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1410	0.23	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.22	Binding ≤ 10μM

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)	4.14	7.27	-23.27	2	9	0	121	492.557	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.60	5.53	-56.09	1	9	-1	124	491.549	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.60	5.27	-72.79	1	9	-1	124	491.549	8	↓ MOL2 SDF SMILES Flexibase

3824080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: L-371257 L-371257

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	19	0.29	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3200	0.21	Binding ≤ 10μM
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	640	0.23	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	25	0.29	Functional ≤ 10μM

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)	2.29	10.8	-30.29	0	9	0	89	507.587	5	↓ MOL2 SDF SMILES Flexibase

3796262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: OPC-21268 OPC-21268

Find On: PubMed — Wikipedia — Google

Vendors

Sigma Aldrich (Building Blocks)
- O1016|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	230	0.28	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	350	0.27	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	440	0.27	Functional ≤ 10μM
V1BR-1-E	Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	440	0.27	Functional ≤ 10μM

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)	1.66	-1.73	-21.51	1	7	0	78	449.551	7	↓ MOL2 SDF SMILES Flexibase

6718496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: GSK-221149A GSK-221149A

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-80356

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.33	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	950	0.23	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	180	0.26	Functional ≤ 10μM

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)	1.93	-2.68	-18.53	1	9	0	104	494.592	6	↓ MOL2 SDF SMILES Flexibase

40849222

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

American Custom Chemicals Corp.
- CHM0293067
Chembo Pharma
- KB-65175

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.34	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	63	0.31	Binding ≤ 10μM
V1BR-1-E	Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	32	0.32	Binding ≤ 10μM

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)	3.30	7.4	-18.8	0	8	0	90	463.563	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.30	7.81	-48.67	1	8	1	91	464.571	7	↓ MOL2 SDF SMILES Flexibase

600399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: VPA-985 VPA-985

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	519	0.26	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	6000	0.22	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.36	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	91	0.29	Functional ≤ 10μM

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)	5.51	1.8	-12.67	1	5	0	54	473.935	3	↓ MOL2 SDF SMILES Flexibase

42833251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SR-149415 SR-149415

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-52479

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	25	0.25	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	94	0.23	Binding ≤ 10μM
V1BR-1-E	Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.29	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	325	0.21	Binding ≤ 10μM
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.28	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.24	Functional ≤ 10μM
V1BR-1-E	Vasopressin V1b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	59	0.24	Functional ≤ 10μM

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)	2.82	5.04	-24.35	1	11	0	126	630.119	8	↓ MOL2 SDF SMILES Flexibase

875706

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.33	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	300	0.30	Functional ≤ 10μM

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)	5.21	8.55	-15.73	1	6	0	76	444.94	7	↓ MOL2 SDF SMILES Flexibase

2900252

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	67	0.33	Functional ≤ 10μM

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)	4.41	6.86	-26.67	2	7	0	99	423.494	7	↓ MOL2 SDF SMILES Flexibase

6199057

Analogs

3923061

Draw Identity 99% 90% 80% 70%

Popular Name: L-368899 L-368899

Find On: PubMed — Wikipedia — Google

Vendors

Tocris
- 5221

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.30	Binding ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	370	0.24	Binding ≤ 10μM
V2R-1-E	Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	570	0.24	Binding ≤ 10μM
OXYR-2-E	Oxytocin Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	8	0.31	Functional ≤ 10μM

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)	1.47	-10.65	-71.78	4	9	1	131	555.787	9	↓ MOL2 SDF SMILES Flexibase

16675765

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4900	0.24	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	600	0.28	Functional ≤ 10μM

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	7.13	-17.3	2	7	0	99	457.939	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	7.9	-59.03	1	7	-1	102	456.931	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	7.38	-48.24	1	7	-1	102	456.931	7	↓ MOL2 SDF SMILES Flexibase

903719

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Scientific Exchange (make on demand)
- POD_82/0123

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	160	0.33	Functional ≤ 10μM

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)	5.83	9.78	-14.03	1	5	0	66	449.359	6	↓ MOL2 SDF SMILES Flexibase

18201394

Analogs

16671330

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	237	0.31	Functional ≤ 10μM

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)	3.88	6.62	-18.83	2	7	0	99	423.494	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.88	7.4	-62.3	1	7	-1	102	422.486	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.88	6.87	-49.85	1	7	-1	102	422.486	7	↓ MOL2 SDF SMILES Flexibase

839927

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	620	0.26	Functional ≤ 10μM

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)	5.25	9.43	-20.7	1	7	0	85	488.993	8	↓ MOL2 SDF SMILES Flexibase

13677323

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Scientific Exchange (make on demand)
- Z-064261

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	60	0.31	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	3215	0.23	Functional ≤ 10μM

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)	4.84	7.08	-26.49	2	8	0	108	467.547	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.84	7.86	-76.06	1	8	-1	111	466.539	9	↓ MOL2 SDF SMILES Flexibase

16691907

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	6	0.34	Functional ≤ 10μM
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	36	0.31	Functional ≤ 10μM

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)	3.69	6.6	-23.25	2	9	0	121	478.53	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.60	5.07	-61.5	1	9	-1	127	477.522	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.15	4.85	-55.99	1	9	-1	124	477.522	8	↓ MOL2 SDF SMILES Flexibase

1215037

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	93	0.34	Functional ≤ 10μM

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)	5.60	10.21	-19.43	1	5	0	66	428.941	6	↓ MOL2 SDF SMILES Flexibase

875778

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	800	0.28	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.33	Functional ≤ 10μM

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)	5.23	8.62	-16.03	1	6	0	76	444.94	7	↓ MOL2 SDF SMILES Flexibase

3154670

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	67	0.33	Functional ≤ 10μM

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)	4.64	6.7	-26.08	2	7	0	99	443.912	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.64	7.47	-74.85	1	7	-1	102	442.904	7	↓ MOL2 SDF SMILES Flexibase

877300

Analogs

656558

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	160	0.31	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	115	0.31	Functional ≤ 10μM

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	9.9	-22.21	0	6	0	67	436.533	6	↓ MOL2 SDF SMILES Flexibase

655012

Analogs

829925
1116032
9059414

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	470	0.30	Functional ≤ 10μM
V1AR-1-E	Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	325	0.30	Functional ≤ 10μM

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)	4.14	11.29	-20.92	0	5	0	58	420.534	5	↓ MOL2 SDF SMILES Flexibase

359162

Analogs

359165

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.41	Functional ≤ 10μM

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)	3.94	11.66	-10.81	0	3	0	30	335.447	6	↓ MOL2 SDF SMILES Flexibase

359165

Analogs

359162

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
OXYR-1-E	Oxytocin Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	50	0.41	Functional ≤ 10μM

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)	3.94	11.62	-10.66	0	3	0	30	335.447	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = OXYR_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
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 INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'OXYR\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=OXYR_HUMAN&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', {
        "annotation.name": "OXYR_HUMAN"        

    });
</script>