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)	3.51	10.83	-20.32	0	8	0	78	378.436	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	11.23	-37.58	1	8	1	79	379.444	8	↓ MOL2 SDF SMILES Flexibase

53313157

Analogs

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Popular Name: N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(benzotriazol-2-yl)acetamide N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-oc…

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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)	2.43	6.97	-48.56	2	6	1	64	328.44	4	↓ MOL2 SDF SMILES Flexibase

11815666

Analogs

11815668

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Popular Name: methyl 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)	2.79	1.21	-48.8	1	9	1	91	464.546	6	↓ MOL2 SDF SMILES Flexibase

11815668

Analogs

11815666

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Popular Name: methyl 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)	2.79	1.1	-47.87	1	9	1	91	464.546	6	↓ MOL2 SDF SMILES Flexibase

11817962

Analogs

11817963

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Popular Name: 3-[(3S)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide 3-[(3S)-1-[2-(benzotriazol-2-yl)…

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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	-0.47	-22.13	0	8	0	84	434.544	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	-0.33	-47.44	1	8	1	85	435.552	8	↓ MOL2 SDF SMILES Flexibase

11817963

Analogs

11817962

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Popular Name: 3-[(3R)-1-[2-(benzotriazol-2-yl)acetyl]-3-piperidyl]-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide 3-[(3R)-1-[2-(benzotriazol-2-yl)…

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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	-0.49	-22.25	0	8	0	84	434.544	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.28	-0.36	-47.65	1	8	1	85	435.552	8	↓ MOL2 SDF SMILES Flexibase

11820503

Analogs

11820504

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3R)-3-…

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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)	3.03	-2.55	-22.74	1	8	0	82	393.447	4	↓ MOL2 SDF SMILES Flexibase

11820504

Analogs

11820503

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3S)-3-…

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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)	3.03	-2.55	-22.74	1	8	0	82	393.447	4	↓ MOL2 SDF SMILES Flexibase

11843308

Analogs

11843309

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Popular Name: 2-(benzotriazol-2-yl)-1-[(2R)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]ethanone 2-(benzotriazol-2-yl)-1-[(2R)-2-…

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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	-0.03	-19.28	0	6	0	60	354.385	4	↓ MOL2 SDF SMILES Flexibase

11843309

Analogs

11843308

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Popular Name: 2-(benzotriazol-2-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]morpholin-4-yl]ethanone 2-(benzotriazol-2-yl)-1-[(2S)-2-…

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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	-0.01	-18.69	0	6	0	60	354.385	4	↓ MOL2 SDF SMILES Flexibase

11979899

Analogs

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Popular Name: 2-(benzotriazol-2-yl)-1-[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzo 2-(benzotriazol-2-yl)-1-[7-(6,7-…

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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)	3.30	-0.69	-51.51	1	7	1	65	460.583	4	↓ MOL2 SDF SMILES Flexibase

12000362

Analogs

12000364

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3R)-3-(benzyl-methyl-amino)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3R)-3-…

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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)	2.80	0.55	-48.29	1	6	1	55	364.473	5	↓ MOL2 SDF SMILES Flexibase

12000364

Analogs

12000362

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(benzyl-methyl-amino)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3S)-3-…

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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)	2.80	0.73	-47.99	1	6	1	55	364.473	5	↓ MOL2 SDF SMILES Flexibase

12002996

Analogs

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Popular Name: 2-(benzotriazol-2-yl)-1-[4-(hydroxymethyl)-4-phenethyl-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[4-(hydr…

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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)	3.14	-1.74	-17.85	1	6	0	71	378.476	6	↓ MOL2 SDF SMILES Flexibase

12003443

Analogs

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Popular Name: 3-[2-(benzotriazol-2-yl)acetyl]-N-isopentyl-9-methoxy-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diaz 3-[2-(benzotriazol-2-yl)acetyl]-…

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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)	2.38	-2.06	-25.47	1	10	0	111	466.542	7	↓ MOL2 SDF SMILES Flexibase

20890642

Analogs

20890646

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Popular Name: 2-[(3R)-1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-piperidyl]benzotriazole 2-[(3R)-1-[2,5-diethoxy-4-(tetra…

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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	7.31	-22.3	0	12	0	130	498.569	8	↓ MOL2 SDF SMILES Flexibase

20890646

Analogs

20890642

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Popular Name: 2-[(3S)-1-[2,5-diethoxy-4-(tetrazol-1-yl)phenyl]sulfonyl-3-piperidyl]benzotriazole 2-[(3S)-1-[2,5-diethoxy-4-(tetra…

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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	7.6	-20.58	0	12	0	130	498.569	8	↓ MOL2 SDF SMILES Flexibase

12027008

Analogs

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Popular Name: 2-(benzotriazol-2-yl)-1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]eth 2-(benzotriazol-2-yl)-1-[7-[(4-p…

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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)	3.62	-1.84	-49.8	1	8	1	68	483.596	5	↓ MOL2 SDF SMILES Flexibase

12028513

Analogs

12028517

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Popular Name: 2-(benzotriazol-2-yl)-1-[7-[(S)-cyclohexyl-hydroxy-methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]etha 2-(benzotriazol-2-yl)-1-[7-[(S)-…

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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)	3.70	-2.25	-19.27	1	7	0	80	420.513	4	↓ MOL2 SDF SMILES Flexibase

12028517

Analogs

12028513

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Popular Name: 2-(benzotriazol-2-yl)-1-[7-[(R)-cyclohexyl-hydroxy-methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]etha 2-(benzotriazol-2-yl)-1-[7-[(R)-…

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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)	3.70	-2.35	-19.15	1	7	0	80	420.513	4	↓ MOL2 SDF SMILES Flexibase

36162515

Analogs

264116

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Popular Name: 2-(5-aminobenzotriazol-2-yl)-4-nitro-phenol 2-(5-aminobenzotriazol-2-yl)-4-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)	1.77	2.54	-14.02	3	8	0	123	271.236	2	↓ MOL2 SDF SMILES Flexibase

12030008

Analogs

12030014

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3S)-3-(hydroxymethyl)-3-(o-tolylmethyl)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3S)-3-…

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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)	3.03	-0.8	-20.03	1	6	0	71	378.476	5	↓ MOL2 SDF SMILES Flexibase

12030014

Analogs

12030008

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Popular Name: 2-(benzotriazol-2-yl)-1-[(3R)-3-(hydroxymethyl)-3-(o-tolylmethyl)-1-piperidyl]ethanone 2-(benzotriazol-2-yl)-1-[(3R)-3-…

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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)	3.03	-0.88	-20.08	1	6	0	71	378.476	5	↓ MOL2 SDF SMILES Flexibase

12039037

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-1H-benzotriazole-5-carboxamide N-(4-methylsulfanylphenyl)-1H-be…

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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)	2.59	-3.85	-13.38	2	5	0	71	284.344	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.59	4.47	-45.11	1	5	-1	69	283.336	3	↓ MOL2 SDF SMILES Flexibase

12401556

Analogs

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Popular Name: N-[4-(benzotriazol-2-yl)phenyl]-2,4-dichloro-N-isopropyl-benzamide N-[4-(benzotriazol-2-yl)phenyl]-…

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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)	5.72	1.74	-15.92	0	5	0	51	425.319	4	↓ MOL2 SDF SMILES Flexibase

36638151

Analogs

36638154

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Popular Name: (2S)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-(p-tolylsulfonylamino)propanamide (2S)-N-[2-(4-methoxyphenyl)benzo…

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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)	3.31	5.52	-18.62	2	9	0	115	465.535	7	↓ MOL2 SDF SMILES Flexibase

36638154

Analogs

36638151

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Popular Name: (2R)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-(p-tolylsulfonylamino)propanamide (2R)-N-[2-(4-methoxyphenyl)benzo…

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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)	3.31	5.44	-19.81	2	9	0	115	465.535	7	↓ MOL2 SDF SMILES Flexibase

12855299

Analogs

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Popular Name: 2,3,5,6-tetrafluoro-4-methoxy-N-[2-(p-tolyl)benzotriazol-5-yl]benzamide 2,3,5,6-tetrafluoro-4-methoxy-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)	4.37	8.66	-11.29	1	6	0	69	430.361	4	↓ MOL2 SDF SMILES Flexibase

12855313

Analogs

14272736

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Popular Name: 2,3,5,6-tetrafluoro-4-methoxy-N-(6-methyl-2-phenyl-benzotriazol-5-yl)benzamide 2,3,5,6-tetrafluoro-4-methoxy-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)	4.30	8.85	-15.19	1	6	0	69	430.361	4	↓ MOL2 SDF SMILES Flexibase

12855324

Analogs

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Popular Name: N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,4-dimethoxybenzamide N-[2-(4-ethylphenyl)-6-methyl-2H…

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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)	4.43	10.01	-20.16	1	7	0	78	416.481	6	↓ MOL2 SDF SMILES Flexibase

12855331

Analogs

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Popular Name: 3-chloro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-benzamide 3-chloro-N-[2-(4-isopropylphenyl…

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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)	6.44	12.37	-17.91	1	5	0	60	418.928	4	↓ MOL2 SDF SMILES Flexibase

12855339

Analogs

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Popular Name: 3-isopropoxy-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 3-isopropoxy-N-[2-(4-isopropylph…

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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)	6.16	12.17	-19.37	1	6	0	69	428.536	6	↓ MOL2 SDF SMILES Flexibase

12855603

Analogs

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Popular Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-fluoro-benzamide N-[2-(4-butylphenyl)benzotriazol…

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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)	5.50	11.57	-11.15	1	5	0	60	388.446	6	↓ MOL2 SDF SMILES Flexibase

12855610

Analogs

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Popular Name: N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-2-methoxy-benzamide N-[2-(4-isopropylphenyl)-6-methy…

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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)	5.94	11.7	-19.99	1	6	0	69	400.482	5	↓ MOL2 SDF SMILES Flexibase

12855617

Analogs

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Popular Name: 4-fluoro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 4-fluoro-N-[2-(4-isopropylphenyl…

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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)	5.55	11.34	-16.24	1	5	0	60	388.446	4	↓ MOL2 SDF SMILES Flexibase

12855620

Analogs

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Popular Name: 2-fluoro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]benzamide 2-fluoro-N-[2-(4-isopropylphenyl…

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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)	5.50	11.34	-21.15	1	5	0	60	388.446	4	↓ MOL2 SDF SMILES Flexibase

12855692

Analogs

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Popular Name: 4-(4-methyl-1-piperidyl)-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide 4-(4-methyl-1-piperidyl)-3-nitro…

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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)	4.64	12.33	-20.89	1	9	0	109	456.506	5	↓ MOL2 SDF SMILES Flexibase

22704021

Analogs

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Popular Name: 2,4-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,4-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.77	-53.33	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.68	-18.08	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704025

Analogs

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Popular Name: 2,3-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,3-dichloro-N-[2-(4-diethylamin…

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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)	5.99	12.72	-56.35	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.99	12.63	-20.71	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704029

Analogs

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Popular Name: 2,5-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 2,5-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.8	-49.83	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.69	-16.22	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704033

Analogs

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Popular Name: 3,4-dichloro-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]benzamide 3,4-dichloro-N-[2-(4-diethylamin…

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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)	6.01	12.73	-50.66	2	6	0	64	469.396	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.01	12.62	-18.12	1	6	0	63	468.388	6	↓ MOL2 SDF SMILES Flexibase

22704037

Analogs

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Popular Name: 2,3,4,5,6-pentafluoro-N-[6-methyl-2-(1-naphthyl)benzotriazol-5-yl]benzamide 2,3,4,5,6-pentafluoro-N-[6-methy…

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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)	5.78	11.72	-19.28	1	5	0	60	468.385	3	↓ MOL2 SDF SMILES Flexibase

22705895

Analogs

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Popular Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide (E)-N-[[2-(4-butylphenyl)-6-meth…

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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)	5.93	14.57	-33.43	2	6	0	72	469.614	9	↓ MOL2 SDF SMILES Flexibase

22706517

Analogs

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Popular Name: (E)-N-[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide (E)-N-[2-(4-diethylaminophenyl)-…

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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)	5.30	13.65	-59.94	2	9	0	110	471.541	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.30	13.55	-24.76	1	9	0	109	470.533	8	↓ MOL2 SDF SMILES Flexibase

22706884

Analogs

9226816

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Popular Name: 2-(4-tert-butylphenoxy)-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]acetamide 2-(4-tert-butylphenoxy)-N-[2-(4-…

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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)	7.41	15.1	-23.23	1	6	0	69	470.617	9	↓ MOL2 SDF SMILES Flexibase

22706887

Analogs

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Popular Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(2-isopropyl-5-methyl-phenoxy)acetamide N-[2-(4-butylphenyl)-6-methyl-be…

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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)	7.12	15.43	-23.03	1	6	0	69	470.617	9	↓ MOL2 SDF SMILES Flexibase

22706890

Analogs

9226816

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-sec-butylphenoxy)acetamide N-[2-(4-butylphenyl)-6-methyl-be…

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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)	7.56	15.39	-20.53	1	6	0	69	470.617	10	↓ MOL2 SDF SMILES Flexibase

22706893

Analogs

9226816

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-(4-sec-butylphenoxy)acetamide N-[2-(4-butylphenyl)-6-methyl-be…

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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)	7.56	15.39	-20.53	1	6	0	69	470.617	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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