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)	2.32	6.48	-21.73	2	6	0	78	316.336	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.32	7.69	-61.5	1	6	-1	81	315.328	4	↓ MOL2 SDF SMILES Flexibase

33754698

Analogs

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Popular Name: 2-(3-Fluorophenyl)-N-hydroxy-6-(4-morpholinyl)-4-pyrimidineacetamide; 4-Pyrimidineacetamide, 2-(3-fluorophenyl)-N-hydroxy-6-(4-morpholinyl)-; 4-Pyrimidineacetohydroxamic acid, 2-(m-fluorophenyl)-6-morpholino-; LS-134542 2-(3-Fluorophenyl)-N-hydroxy-6-(…

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Vendors

Chembo Pharma
- KB-221795

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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)	1.76	4.93	-21.55	2	7	0	88	332.335	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.76	6.14	-60.43	1	7	-1	90	331.327	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.76	5.03	-40.42	3	7	1	89	333.343	4	↓ MOL2 SDF SMILES Flexibase

6072149

Analogs

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Popular Name: 2-Methyl-3-(piperidinomethyl)pyrido(2,3-d)pyrimidin-4(3H)-one; LK 42-82; LK 42/82; LS-134187; Pyrido(2,3-d)pyrimidin-4(3H)-one, 2-methyl-3-(1-piperidinylmethyl)- 2-Methyl-3-(piperidinomethyl)pyr…

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Vendors

Chembo Pharma
- KB-231394

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)	1.17	8.02	-46.68	1	5	1	52	259.333	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.17	5.54	-12.71	0	5	0	51	258.325	2	↓ MOL2 SDF SMILES Flexibase

95890563

Analogs

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Popular Name: 2H-Pyrido[2,3-e]-1,2,4-thiadiazin-3-amine, 1,1-dioxide (9CI) 2H-Pyrido[2,3-e]-1,2,4-thiadiazi…

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Vendors

Chemstep
- 73838

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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

57214521

Analogs

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Popular Name: 3-methyl-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide 3-methyl-2H-pyrido[2,3-e][1,2,4]…

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Vendors

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL

95890504

Analogs

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Popular Name: 4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-; 6-Chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-4-pyrimidinamine; BRN 5029740; LS-134433 4-Pyrimidinamine, 6-chloro-5-(2,…

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Vendors

Vitas-M
- STK057218
eMolecules
- 937442

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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)	2.67	6.06	-8.84	1	3	0	38	357.477	4	↓ MOL2 SDF SMILES Flexibase

95890503

Analogs

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Popular Name: 4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-; 6-Chloro-5-(2,3-dibromopropyl)-N,2-dimethyl-4-pyrimidinamine; BRN 5029740; LS-134433 4-Pyrimidinamine, 6-chloro-5-(2,…

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Vendors

Vitas-M
- STK057218
eMolecules
- 937442

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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)	2.67	6.64	-6.63	1	3	0	38	357.477	4	↓ MOL2 SDF SMILES Flexibase

2254574

Analogs

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Popular Name: 4-Pyrimidinamine, 6-chloro-5-(2,3-dibromopropyl)-2-methyl-N-(phenylmethyl)-; 6-Chloro-5-(2,3-dibromopropyl)-2-methyl-N-(phenylmethyl)-4-pyrimidinamine; BRN 5097421; LS-134435 4-Pyrimidinamine, 6-chloro-5-(2,…

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Vendors

Vitas-M
- STK030208
eMolecules
- 937446

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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)	4.07	9.89	-7.56	1	3	0	38	433.575	6	↓ MOL2 SDF SMILES Flexibase

2254573

Analogs

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Vendors

Vitas-M
- STK030208
eMolecules
- 937446

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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)	4.07	10.45	-6.11	1	3	0	38	433.575	6	↓ MOL2 SDF SMILES Flexibase

33889712

Analogs

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Popular Name: 4-Pyrimidinamine, 6-chloro-N,2-dimethyl-5-(2-propenyl)-; 6-Chloro-N,2-dimethyl-5-(2-propenyl)-4-pyrimidinamine; BRN 5005909; LS-134439 4-Pyrimidinamine, 6-chloro-N,2-d…

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Vendors

Ambinter
- Amb4104398

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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)	1.85	4.84	-5.46	1	3	0	38	197.669	3	↓ MOL2 SDF SMILES Flexibase

33754692

Analogs

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Popular Name: 2-(3-Chlorophenyl)-N-hydroxy-6-(4-morpholinyl)-4-pyrimidineacetamide; 4-Pyrimidineacetamide, 2-(3-chlorophenyl)-N-hydroxy-6-(4-morpholinyl)-; 4-Pyrimidineacetohydroxamic acid, 2-(m-chlorophenyl)-6-morpholino-; LS-134526 2-(3-Chlorophenyl)-N-hydroxy-6-(…

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Vendors

Chembo Pharma
- KB-221711

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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)	2.28	5.37	-21.11	2	7	0	88	348.79	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.28	6.59	-60.39	1	7	-1	90	347.782	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	5.48	-39.82	3	7	1	89	349.798	4	↓ MOL2 SDF SMILES Flexibase

4794949

Analogs

4794950
4794948
4794947

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Popular Name: 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(dimethylamino)-; 1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis(dimethylamino)-2,2,4,4,6,6-hexahydro-; 2,2,4,4,6,6-Hexahydro-2,2,4,4,6,6-hexakis(dimethylamino)-1,3,5,2,4,6- 1,3,5,2,4,6-Triazatriphosphorine…

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Vendors

NCI Plated 2007
- 42153

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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)	2.09	-1.25	-6.47	0	9	0	58	399.405	6	↓ MOL2 SDF SMILES Flexibase

8214568

Analogs

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Popular Name: Fotretamine (INN) Fotretamine (INN)

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Vendors

eMolecules
- 602568

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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)	1.25	-0.7	-19.79	0	10	0	66	431.362	6	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.25	-0.33	-19.12	0	10	0	66	431.362	6	↓ MOL2 SDF SMILES Flexibase

16892272

Analogs

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Popular Name: 1-(4-Biphenyl)-3,3-dimethyltriazene; 1-Biphenylyl-3,3-dimethyltriazene; 1-Triazene, 1-(1,1'-biphenyl)-4-yl-3,3-dimethyl-; 1-Xenyl-3,3-dimethyltriazin [Czech]; 3,3-Dimethyl-1-xenyltriazene; BRN 1841973; LS-154865; NSC 5052; Triazene, 1-(4-biphenylyl)-3,3-d 1-(4-Biphenyl)-3,3-dimethyltriaz…

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Vendors

Aldrich CPR
- PH007131|ALDRICH

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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)	4.50	7.22	-7.01	0	3	0	28	225.295	3	↓ MOL2 SDF SMILES Flexibase

18176343

Analogs

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Popular Name: 1-(4-Bromophenyl)-3,3-dimethyltriazene; 1-(4-Bromophenyl)-3,3-dimethyltriazine; 1-Triazene, 1-(4-bromophenyl)-3,3-dimethyl-; 1-p-Bromfenyl-3,3-dimethyltriazen [Czech]; 3,3-Dimethyl-1-(4-bromophenyl)triazene; BRN 1841493; CCRIS 2063; LS-154866; NSC 63952 1-(4-Bromophenyl)-3,3-dimethyltr…

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Vendors

And 2 More

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	4.46	-4.73	0	3	0	28	228.093	2	↓ MOL2 SDF SMILES Flexibase

1722409

Analogs

16952921

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Popular Name: 1-(3-Pyridyl)-3,3-diethyltriazene; 1-(Pyridyl-3)-3,3-diethyltriazene; 1-(Pyridyl-3-)-3,3-diaethyl-triazen [German]; 1-Pyridyl-3,3-diethyltriazene; 3,3-Diethyl-1-(3-pyridyl)-triazene; 3,3-Diethyl-1-(m-pyridyl)triazene; BRN 0389220; LS-154878; NSC 136068; P 1-(3-Pyridyl)-3,3-diethyltriazen…

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Vendors

American Custom Chemicals Corp.
- NEW0104326
NCI Plated 2007
- 136068

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)	2.38	0.97	-6.8	0	4	0	40	178.239	4	↓ MOL2 SDF SMILES Flexibase

18043815

Analogs

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Popular Name: 1-(4-Chlorophenyl)-3,3-dimethyltriazene; 1-(4-Chlorophenyl)-3,3-dimethyltriazine; 1-(p-Chlor-phenyl)-3,3-dimethyl-triazen [German]; 1-(p-Chlorophenyl)-3,3-dimethyl-triazene; 1-(p-Chlorophenyl)-3,3-dimethyltriazine; 1-Triazene, 1-(4-chlorophenyl)-3,3-dimet 1-(4-Chlorophenyl)-3,3-dimethylt…

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Vendors

American Custom Chemicals Corp.
- HCH0172600

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	4.36	-4.75	0	3	0	28	183.642	2	↓ MOL2 SDF SMILES Flexibase

17164809

Analogs

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Popular Name: N-(4-methoxyphenyl)diazenyl-N-methylmethanamine N-(4-methoxyphenyl)diazenyl-N-me…

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Vendors

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	3.2	-6.01	0	4	0	37	179.223	3	↓ MOL2 SDF SMILES Flexibase

18102010

Analogs

33824586

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Popular Name: 3,3-Dimethyl-1-p-tolyltriazene 3,3-Dimethyl-1-p-tolyltriazene

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And 2 More

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.15	4.48	-6.22	0	3	0	28	163.224	2	↓ MOL2 SDF SMILES Flexibase

5957213

Analogs

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Popular Name: 3,3-Dimethyl-1-(3-methylthiophenyl)triazene; 3,3-Dimethyl-1-(m-methylthiophenyl)triazene; BRN 1841596; LS-154886; Triazene, 3,3-dimethyl-1-(m-methylthiophenyl)- 3,3-Dimethyl-1-(3-methylthiophen…

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Vendors

American Custom Chemicals Corp.
- NEW0108874

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	4.86	-7	0	3	0	28	195.291	3	↓ MOL2 SDF SMILES Flexibase

33824586

Analogs

18102010

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Popular Name: 3,3-Dimethyl-1-(4-propylphenyl)triazene; 3,3-Dimethyl-1-(p-propylphenyl)triazene; BRN 1817972; LS-154889; Triazene, 3,3-dimethyl-1-(p-propylphenyl)- 3,3-Dimethyl-1-(4-propylphenyl)t…

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Vendors

American Custom Chemicals Corp.
- NEW0110051

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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)	4.00	6.09	-5.37	0	3	0	28	191.278	4	↓ MOL2 SDF SMILES Flexibase

16926080

Analogs

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Popular Name: 1-(3-Pyridinyl)-3,3-dimethyltriazene; 1-(3-Pyridyl)-3,3-dimethyltriazene; 1-(3-Pyridyl)-3,3-dimethyltriazine; 1-(Pyridyl-3)-3,3-dimethyl-triazen [German]; 1-(Pyridyl-3)-3,3-dimethyl-triazene; 1-(m-Pyridyl)-3,3-dimethyl triazene; 1-(meta-Pyridyl)-3,3-dimet 1-(3-Pyridinyl)-3,3-dimethyltria…

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Vendors

NCI Plated 2007
- 125093

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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)	1.63	2.12	-7.05	0	4	0	41	150.185	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	2.29	-35.71	1	4	1	42	151.193	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.63	2.12	-25.51	1	4	1	42	151.193	2	↓ MOL2 SDF SMILES Flexibase

18145703

Analogs

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Popular Name: 1-(2,4,6-Tribromophenyl)-3,3-dimethyltriazene; 1-Triazene, 3,3-dimethyl-1-(2,4,6-tribromophenyl)-; 3,3-Dimethyl-1-(2,4,6-tribromophenyl)-triazene; CCRIS 2473; LS-154892; NSC 254176; Triazene, 3,3-dimethyl-1-(2,4,6-tribromophenyl)- 1-(2,4,6-Tribromophenyl)-3,3-dim…

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Vendors

American Custom Chemicals Corp.
- HCH0172601

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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)	4.98	5.82	-4.4	0	3	0	28	385.885	2	↓ MOL2 SDF SMILES Flexibase

18066290

Analogs

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Popular Name: 1-(2,4,6-Trichlorophenyl)-3,3-dimethyltriazene; 1-Triazene, 3,3-dimethyl-1-(2,4,6-trichlorophenyl)-; 2,4,6-Trichloro-phenyldimethyltriazene; 3,3-Dimethyl-1-(2,4,6-trichlorophenyl)-1-triazene; 3,3-Dimethyl-1-(2,4,6-trichlorophenyl)-triazine; 3,3-Dimethyl-1 1-(2,4,6-Trichlorophenyl)-3,3-di…

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Vendors

American Custom Chemicals Corp.
- HCH0172602

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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)	4.59	5.47	-4.53	0	3	0	28	252.532	2	↓ MOL2 SDF SMILES Flexibase

18211929

Analogs

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Popular Name: 1-Phenyl-3-methyl-3-(2-hydroxyaethyl)-triazen [German]; 1-Phenyl-3-methyl-3-(2-hydroxyethyl)triazene; 3-(2-Hydroxyethyl)-3-methyl-1-phenyltriazene; 3-Methyl-3-(2-hydroxyethyl)-1-phenyltriazene; BRN 1841720; Ethanol, 2-(1-methyl-3-phenyl-2-triazeno)-; Etha 1-Phenyl-3-methyl-3-(2-hydroxyae…

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Vendors

American Custom Chemicals Corp.
- NEW0104327

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	1.48	-7.18	1	4	0	48	179.223	4	↓ MOL2 SDF SMILES Flexibase

17746692

Analogs

2391036

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Popular Name: 1-METHYL-3-P-TOLYLTRIAZENE 1-METHYL-3-P-TOLYLTRIAZENE

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Vendors

And 3 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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.09	2.55	-3.98	1	3	37	149.197	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.09	2.62	-3.87	1	3	37	149.197	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.36	3.13	-5.67	1	3	37	149.197	2	↓ MOL2 SDF SMILES Flexibase

2026718

Analogs

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Popular Name: Etatryn Etatryn

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Vendors

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	4.84	-4.25	1	4	0	51	193.037	2	↓ MOL2 SDF SMILES Flexibase

186092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazin-2-amine, 4-ethoxy-N,6-diethyl-; 4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine; BRN 0611007; LS-154956 1,3,5-Triazin-2-amine, 4-ethoxy-…

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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)	2.10	-3.78	-6.69	1	5	0	59	196.254	5	↓ MOL2 SDF SMILES Flexibase

2037339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazin-2-amine, 4-ethoxy-N-ethyl-6-methyl-; 4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine; BRN 0610577; LS-154958 1,3,5-Triazin-2-amine, 4-ethoxy-…

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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)	1.52	2.87	-7.03	1	5	0	60	182.227	4	↓ MOL2 SDF SMILES Flexibase

2565694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethoxy-6-methyl-1,3,5-triazin-2-amine 4-Ethoxy-6-methyl-1,3,5-triazin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.35	0.88	-7.17	2	5	0	74	154.173	2	↓ MOL2 SDF SMILES Flexibase

1845790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Ethyl-6-methoxy-1,3,5-triazin-2-amine 4-Ethyl-6-methoxy-1,3,5-triazin-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.55	0.54	-7.04	2	5	0	74	154.173	2	↓ MOL2 SDF SMILES Flexibase

404123

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine 4-Methoxy-N,6-dimethyl-1,3,5-tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.77	1.12	-7.59	1	5	0	60	154.173	2	↓ MOL2 SDF SMILES Flexibase

3641626

Analogs

5734441

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazin-2-amine, 4-methoxy-6-(4-pyridinyl)-; 4-Methoxy-6-(4-pyridinyl)-1,3,5-triazin-2-amine; BRN 0523680; LS-154987 1,3,5-Triazin-2-amine, 4-methoxy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.72	1.51	-8.17	2	6	0	87	203.205	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	1.97	-39.24	3	6	1	88	204.213	2	↓ MOL2 SDF SMILES Flexibase

76642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-6-(methylthio)-1,3,5-triazin-2-amine 4-methyl-6-(methylthio)-1,3,5-tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.67	3.79	-6.7	2	4	0	65	156.214	1	↓ MOL2 SDF SMILES Flexibase

33902145

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazin-2-amine, 4-(4-morpholinyl)-6-propyl-, monohydrochloride; 2-Amino-4-morpholino-6-propyl-1,3,5-triazine hydrochloride; 4-(4-Morpholinyl)-6-propyl-1,3,5-triazin-2-amine monohydrochloride; LS-154993 1,3,5-Triazin-2-amine, 4-(4-morp…

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Enamine BB Make on Demand
- BBV-38042146

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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)	1.07	6.82	-6.86	2	6	0	77	223.28	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.07	7.24	-27.63	3	6	1	78	224.288	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.07	7.38	-28.98	3	6	1	78	224.288	3	↓ MOL2 SDF SMILES Flexibase

1718513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazine 1,3,5-Triazine

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.70	3.98	-4.65	0	3	0	39	81.078	0	↓ MOL2 SDF SMILES Flexibase

33883405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoicacidethylester 2-[5,6-bis(4-methylphenyl)-3-oxo…

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Vendors

Tractus
- TRA0162517

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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)	4.25	10.34	-13.72	0	6	0	74	377.444	6	↓ MOL2 SDF SMILES Flexibase

33883404

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5,6-bis(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanoicacidethylester 2-[5,6-bis(4-methylphenyl)-3-oxo…

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Tractus
- TRA0162517

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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)	4.25	10.34	-13.2	0	6	0	74	377.444	6	↓ MOL2 SDF SMILES Flexibase

1737540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,4-triazin-3-amine 1,2,4-triazin-3-amine

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.91	0.86	-8.21	2	4	0	65	96.093	0	↓ MOL2 SDF SMILES Flexibase

1611998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-phenyl-1,3,5-triazine-2,4-diamine 6-methyl-N-phenyl-1,3,5-triazine…

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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)	1.51	7.8	-7.11	3	5	0	77	201.233	2	↓ MOL2 SDF SMILES Flexibase

1446096

Analogs

1708611
1708612
905

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,5-Triazine-2,4,6-triamine, N,N,N',N'-tetramethyl-; AI3-51000; BRN 0012437; LS-89446; Melamine, N(sup 2),N(sup 2),N(sup 4),N(sup 4)-tetramethyl-; N(sup 2),N(sup 2),N(sup 4),N(sup 4)-Tetramethylmelamine 1,3,5-Triazine-2,4,6-triamine, N…

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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)	1.03	8.34	-8.38	2	6	0	71	182.231	2	↓ MOL2 SDF SMILES Flexibase

89555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine N-(3-Chlorophenyl)-1,3,5-triazin…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	-2.14	-6.07	3	5	0	76	221.651	2	↓ MOL2 SDF SMILES Flexibase

1116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine N-(4-Chlorophenyl)-1,3,5-triazin…

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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)	2.10	8.37	-6.19	3	5	0	77	221.651	2	↓ MOL2 SDF SMILES Flexibase

80658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(Chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine 4-(Chloromethyl)-6-morpholin-4-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	4.14	-6.97	2	6	0	77	229.671	2	↓ MOL2 SDF SMILES Flexibase

88411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine 4-(chloromethyl)-6-piperidin-1-y…

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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)	1.66	6.61	-6.47	2	5	0	68	227.699	2	↓ MOL2 SDF SMILES Flexibase

4737046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-4-(p-chlorophenylamino)-6-(trifluoromethyl)-s-triazine; BRN 0894306; LS-155036; s-Triazine, 2-amino-4-(p-chlorophenylamino)-6-(trifluoromethyl)-; s-Triazine-2,4-diamine, N-(p-chlorophenyl)-6-(trifluoromethyl)- 2-Amino-4-(p-chlorophenylamino)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	-0.42	-5.48	3	5	0	76	289.648	3	↓ MOL2 SDF SMILES Flexibase

1036851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-4-cyclohexylamino-6-trifluoromethyl-s-triazine; BRN 0028543; LS-155040; s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-; s-Triazine-2,4-diamine, N-cyclohexyl-6-(trifluoromethyl)- 2-Amino-4-cyclohexylamino-6-trif…

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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)	2.61	7.66	-7.23	3	5	0	77	261.251	3	↓ MOL2 SDF SMILES Flexibase

1697386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-4,6-dichlorotriazine 2-Amino-4,6-dichlorotriazine

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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)	1.10	2.95	-3.97	2	4	0	65	164.983	0	↓ MOL2 SDF SMILES Flexibase

154796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-1,2,4-triazin-3-amine 5,6-dimethyl-1,2,4-triazin-3-amine

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And 36 More

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.06	1.95	-8.49	2	4	0	65	124.147	0	↓ MOL2 SDF SMILES Flexibase

1708612

Analogs

1708611
1446096

Draw Identity 99% 90% 80% 70%

Popular Name: 2-Amino-4-dimethylamino-6-methylamino-s-triazine hydrochloride; LS-155045; s-Triazine, 2-amino-4-dimethylamino-6-methylamino-, hydrochloride 2-Amino-4-dimethylamino-6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.67	6.33	-8.14	3	6	0	80	168.204	2	↓ MOL2 SDF SMILES Flexibase

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