ZINC 12

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)	4.03	10.58	-37.6	1	4	1	35	340.472	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.03	8.07	-9.84	0	4	0	34	339.464	4	↓ MOL2 SDF SMILES Flexibase

49051632

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Scientific Exchange (make on demand)
- Z-016282

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	1340	0.34	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)	2.97	5.57	-10.68	0	5	0	43	341.436	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.97	8.14	-39.99	1	5	1	45	342.444	4	↓ MOL2 SDF SMILES Flexibase

13532602

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-8-F	Tyrosinase (cluster #8 Of 8), Fungal	Fungi	2400	0.56	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)	0.47	2.29	-10.13	4	5	0	80	208.246	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.00	3.43	-40.93	3	5	-1	77	207.238	0	↓ MOL2 SDF SMILES Flexibase

395525

Analogs

26513874
26514124
34964304

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And 46 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	6470	0.61	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)	2.32	0.93	-42.39	0	3	-1	39	177.208	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.60	1.48	-7.53	1	3	0	42	178.216	1	↓ MOL2 SDF SMILES Flexibase

2379869

Analogs

26513878
34964286

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And 21 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	3670	0.59	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)	1.92	1.39	-39.88	0	3	-1	39	191.235	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.19	2.15	-10.85	1	3	0	42	192.243	2	↓ MOL2 SDF SMILES Flexibase

392003

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Popular Name: Tropolone Tropolone

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	400	1.00	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)	0.59	2.97	-55.32	0	2	-1	40	121.115	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.59	2.96	-8.86	1	2	0	37	122.123	0	↓ MOL2 SDF SMILES Flexibase

161805

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Popular Name: DNC013586 DNC013586

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-4-F	Tyrosinase (cluster #4 Of 8), Fungal	Fungi	290	0.83	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)	1.13	0.77	-13.7	3	4	0	61	152.153	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.13	1.98	-54.46	2	4	-1	64	151.145	1	↓ MOL2 SDF SMILES Flexibase

2041733

Analogs

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Popular Name: DNC014525 DNC014525

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	9530	0.59	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)	1.58	4.86	-8.7	1	2	0	37	164.204	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	5.56	-47.62	0	2	-1	40	163.196	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.58	5.66	-49.54	0	2	-1	40	163.196	1	↓ MOL2 SDF SMILES Flexibase

899531

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	70	0.83	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)	2.10	0.79	-11.15	1	2	0	37	164.204	1	↓ MOL2 SDF SMILES Flexibase

13125763

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NCI Diversity 3
- 33005
NCI Plated 2007
- 33005

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-8-F	Tyrosinase (cluster #8 Of 8), Fungal	Fungi	7700	0.42	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)	3.52	2.29	-9.77	2	3	0	53	243.287	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	3.06	-45.66	1	3	-1	56	242.279	1	↓ MOL2 SDF SMILES Flexibase

2573195

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	3800	0.84	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)	0.78	1.81	-23.84	1	2	0	33	142.179	0	↓ MOL2 SDF SMILES Flexibase

1587152

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	8800	0.29	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)	2.74	-5.01	-15.88	4	5	0	85	322.364	5	↓ MOL2 SDF SMILES Flexibase

5236908

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And 11 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	9000	0.54	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)	2.02	4.52	-12.66	3	3	0	50	197.238	3	↓ MOL2 SDF SMILES Flexibase

6093482

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And 17 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	6000	0.66	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)	1.14	2.44	-12.21	3	4	0	64	169.209	3	↓ MOL2 SDF SMILES Flexibase

6091643

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And 9 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	8000	0.65	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)	1.04	2.13	-15.39	4	4	0	66	168.225	3	↓ MOL2 SDF SMILES Flexibase

4582701

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	7000	0.56	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)	1.56	5.14	-11.59	3	3	0	50	193.275	4	↓ MOL2 SDF SMILES Flexibase

5005072

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Popular Name: SRI-224 SRI-224

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And 12 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	110	0.65	Binding ≤ 10μM
Z80035-5-O	B16 (Melanoma Cells) (cluster #5 Of 7), Other	Other	2700	0.52	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)	1.85	4.3	-12.1	3	4	0	60	223.301	4	↓ MOL2 SDF SMILES Flexibase

388556

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	1850	0.62	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)	1.32	0.08	-48.08	2	4	-1	81	181.167	3	↓ MOL2 SDF SMILES Flexibase

315972

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	100	0.47	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)	3.39	4.27	-11.01	3	5	0	78	299.355	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.39	3.69	-38.23	4	5	1	80	300.363	3	↓ MOL2 SDF SMILES Flexibase

3881635

Analogs

1041157
1295538
1295539
1295540
1295542

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Popular Name: Ethisterone Ethisterone

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-6-F	Tyrosinase (cluster #6 Of 8), Fungal	Fungi	2610	0.34	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)	3.48	8.05	-8.7	1	2	0	37	312.453	0	↓ MOL2 SDF SMILES Flexibase

902159

Analogs

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Popular Name: L-MIMOSINE L-MIMOSINE

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	3680	0.54	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)	-4.16	1.04	-45.07	4	6	0	110	198.178	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	8.44	-11.93	0	7	0	77	425.436	7	↓ MOL2 SDF SMILES Flexibase

5222968

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	580	0.58	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)	1.23	-0.69	-12.43	5	5	0	91	225.273	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.23	-0.35	-13.65	5	5	0	91	225.273	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	0.01	-43.41	4	5	-1	94	224.265	3	↓ MOL2 SDF SMILES Flexibase

16893001

Analogs

5883102
6371692
502706

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Popular Name: DNC013572 DNC013572

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	270	0.66	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)	2.25	5.75	-11.3	3	3	0	50	207.302	3	↓ MOL2 SDF SMILES Flexibase

5548948

Analogs

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Popular Name: DNC013565 DNC013565

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And 8 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	340	0.70	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)	1.80	5.07	-11.31	3	3	0	50	193.275	3	↓ MOL2 SDF SMILES Flexibase

17173470

Analogs

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Popular Name: DNC013570 DNC013570

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And 2 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	520	0.63	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)	2.60	5.7	-11.65	3	3	0	50	272.171	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.65	5.47	-13.07	3	3	0	52	272.171	2	↓ MOL2 SDF SMILES Flexibase

396739

Analogs

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Popular Name: DNC013589 DNC013589

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-4-F	Tyrosinase (cluster #4 Of 8), Fungal	Fungi	2700	0.65	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)	1.94	-3.44	-13.18	3	4	0	61	231.049	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	-2.88	-51.04	2	4	-1	64	230.041	1	↓ MOL2 SDF SMILES Flexibase

3875720

Analogs

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Popular Name: Phenylthiourea Phenylthiourea

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-2-E	Tyrosinase (cluster #2 Of 2), Eukaryotic	Eukaryotes	1800	0.80	Binding ≤ 10μM
TYRO-4-F	Tyrosinase (cluster #4 Of 8), Fungal	Fungi	1800	0.80	Binding ≤ 10μM
Z80035-2-O	B16 (Melanoma Cells) (cluster #2 Of 7), Other	Other	5400	0.74	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)	0.98	3.39	-12.4	3	2	0	38	152.222	2	↓ MOL2 SDF SMILES Flexibase

15923491

Analogs

4535030

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Popular Name: DNC013567 DNC013567

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	820	0.66	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)	0.60	3.02	-14.69	3	4	0	65	194.263	2	↓ MOL2 SDF SMILES Flexibase

225784

Analogs

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And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	540	0.55	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)	2.04	-4.28	-14.06	4	4	0	70	237.328	5	↓ MOL2 SDF SMILES Flexibase

13831818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Kojic acid Kojic acid

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Vendors

And 40 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-E	Tyrosinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	7400	0.72	Binding ≤ 10μM
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	9500	0.70	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)	-0.89	-2.21	-17.01	2	4	0	71	142.11	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.32	-0.27	-40.71	0	4	-1	66	141.102	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.89	-1.34	-55.04	1	4	-1	73	141.102	1	↓ MOL2 SDF SMILES Flexibase

4099897

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	8300	0.40	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)	2.41	-1.73	-10.2	3	3	0	63	239.274	3	↓ MOL2 SDF SMILES Flexibase

12959788

Analogs

11536050

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	2700	0.56	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)	2.11	5.67	-13.38	3	3	0	50	205.286	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.15	5.46	-15.41	3	3	0	52	205.286	3	↓ MOL2 SDF SMILES Flexibase

295850

Analogs

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And 20 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	1770	0.62	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)	1.12	-1.36	-8.69	2	4	0	62	194.215	1	↓ MOL2 SDF SMILES Flexibase

5830973

Analogs

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Popular Name: DNC013569 DNC013569

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	880	0.65	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)	0.33	1.17	-14.36	3	5	0	76	195.251	3	↓ MOL2 SDF SMILES Flexibase

16890891

Analogs

4603414

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Popular Name: DNC013568 DNC013568

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	140	0.80	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)	1.70	4.06	-12.49	3	3	0	50	199.304	3	↓ MOL2 SDF SMILES Flexibase

29125023

Analogs

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Vendors

American Custom Chemicals Corp.
- CHM0185115

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	420	0.56	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)	2.06	5.12	-14.76	3	4	0	60	237.328	5	↓ MOL2 SDF SMILES Flexibase

15224175

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	110	0.65	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)	1.85	4.38	-13.22	3	4	0	60	223.301	4	↓ MOL2 SDF SMILES Flexibase

5412091

Analogs

12403699

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	310	0.65	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)	1.32	2.23	-13.4	4	4	0	71	209.274	3	↓ MOL2 SDF SMILES Flexibase

5412084

Analogs

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Popular Name: DNC013571 DNC013571

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	170	0.68	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)	1.96	5.05	-13.55	3	3	0	50	211.265	3	↓ MOL2 SDF SMILES Flexibase

1576892

Analogs

39289652

Draw Identity 99% 90% 80% 70%

Popular Name: Hexylresorcinol Hexylresorcinol

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Vendors

And 36 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	980	0.60	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)	4.25	3.4	-4.87	2	2	0	40	194.274	5	↓ MOL2 SDF SMILES Flexibase

40845149

Analogs

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Popular Name: DNC013726 DNC013726

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Vendors

American Custom Chemicals Corp.
- CHM0186383

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	230	1.33	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)	0.13	1.46	-11.5	3	3	0	50	117.177	2	↓ MOL2 SDF SMILES Flexibase

3630922

Analogs

39289652

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Vendors

And 12 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	150	0.80	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)	3.24	-1.93	-4.63	2	2	0	40	166.22	3	↓ MOL2 SDF SMILES Flexibase

5082344

Analogs

5447671

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Popular Name: DNC013727 DNC013727

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Vendors

Chembo Pharma
- KB-109844

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	200	1.17	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)	0.63	2.2	-11.18	3	3	0	50	131.204	3	↓ MOL2 SDF SMILES Flexibase

6675630

Analogs

26515822
34964276
34964280
34964282
34964288

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And 13 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-1-F	Tyrosinase (cluster #1 Of 8), Fungal	Fungi	4940	0.62	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)	1.12	1.83	-6.74	1	3	0	42	184.264	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.85	1.15	-39.87	0	3	-1	39	183.256	1	↓ MOL2 SDF SMILES Flexibase

8579328

Analogs

13115335

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Popular Name: DNC013732 DNC013732

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	280	1.02	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)	1.08	2.79	-10.46	3	3	0	50	145.231	3	↓ MOL2 SDF SMILES Flexibase

40413177

Analogs

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Popular Name: DNC013737 DNC013737

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Vendors

None

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	850	0.77	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)	0.98	4.68	-38.52	2	3	-1	43	168.245	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.11	4.6	-12.12	3	3	0	43	169.253	2	↓ MOL2 SDF SMILES Flexibase

898642

Analogs

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Popular Name: DNC013694 DNC013694

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Vendors

Ambinter
- Amb22172822

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-7-F	Tyrosinase (cluster #7 Of 8), Fungal	Fungi	570	0.38	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)	5.89	-2.47	-8.33	3	3	0	60	312.409	6	↓ MOL2 SDF SMILES Flexibase

13130213

Analogs

34219116
39343608

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And 17 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-8-F	Tyrosinase (cluster #8 Of 8), Fungal	Fungi	567	0.55	Binding ≤ 10μM
Z80244-2-O	MDA-MB-468 (Breast Adenocarcinoma) (cluster #2 Of 7), Other	Other	400	0.56	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)	3.81	4.95	-8.57	1	2	0	33	227.288	1	↓ MOL2 SDF SMILES Flexibase

3872809

Analogs

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Popular Name: Hinokitiol Hinokitiol

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-3-F	Tyrosinase (cluster #3 Of 8), Fungal	Fungi	90	0.82	Binding ≤ 10μM
Z80136-5-O	FM3A (Breast Carcinoma Cells) (cluster #5 Of 6), Other	Other	1100	0.70	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)	2.08	5.55	-50.43	0	2	-1	40	163.196	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	4.65	-14.09	1	2	0	37	164.204	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.08	5.56	-50.71	0	2	-1	40	163.196	1	↓ MOL2 SDF SMILES Flexibase

17730060

Analogs

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Vendors

Vitas-M
- STK391362
eMolecules
- 626513
BioBlocks
- A0769/0035982
Chemical Block
- A0769/0035982
Innovapharm
- STT-00108203

And 18 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYRO-5-F	Tyrosinase (cluster #5 Of 8), Fungal	Fungi	170	0.95	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)	1.24	3.33	-9.71	3	3	0	50	157.242	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = TYRO_AGABI
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 'TYRO\\_AGABI' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=TYRO_AGABI&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": "TYRO_AGABI"        

    });
</script>