ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11536133

Analogs

12437407
2687037

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-tert-butylphenyl)sulfonylhydrazono]-N-(4-ethylphenyl)chromene-3-carboxamide (2Z)-2-[(4-tert-butylphenyl)sulf…

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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)	6.83	-4.07	-14.26	2	7	0	101	503.624	7	↓ MOL2 SDF SMILES Flexibase

17993474

Analogs

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Popular Name: (2Z)-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide (2Z)-2-hydroxyimino-N-(3-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)	3.26	2.78	-33.78	3	6	1	86	311.317	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.26	4.23	-32.58	3	6	1	86	311.317	3	↓ MOL2 SDF SMILES Flexibase

36124373

Analogs

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Popular Name: 5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]-2-(1-piperidyl)chromen-4-one 5,7-dihydroxy-8-[(3S,4R)-3-hydro…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CCNE1-1-E	G1/S-specific Cyclin E1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
CCNE2-1-E	G1/S-specific Cyclin E2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
CDK2-1-E	Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
Z104295-1-O	Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other	Other	3700	0.28	Binding ≤ 10μM
Z104296-1-O	Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other	Other	2500	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104296	Z104296	Cyclin-dependent Kinase 1/cyclin B1	2500	0.29	Binding ≤ 10μM
CDK2_HUMAN	P24941	Cyclin-dependent Kinase 2, Human	9690	0.26	Binding ≤ 10μM
Z104295	Z104295	Cyclin-dependent Kinase 4/cyclin D1	3700	0.28	Binding ≤ 10μM
CCNE1_HUMAN	P24864	G1/S-specific Cyclin E1, Human	9690	0.26	Binding ≤ 10μM
CCNE2_HUMAN	O96020	G1/S-specific Cyclin E2, Human	9690	0.26	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)	-1.55	2.6	-86.71	5	7	2	101	376.453	1	↓ MOL2 SDF SMILES Flexibase

36124376

Analogs

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Popular Name: 5,7-dihydroxy-8-[(3S,4S)-3-hydroxy-1-methyl-4-piperidyl]-2-(1-piperidyl)chromen-4-one 5,7-dihydroxy-8-[(3S,4S)-3-hydro…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CCNE1-1-E	G1/S-specific Cyclin E1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
CCNE2-1-E	G1/S-specific Cyclin E2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
CDK2-1-E	Cyclin-dependent Kinase 2 (cluster #1 Of 5), Eukaryotic	Eukaryotes	9690	0.26	Binding ≤ 10μM
Z104295-1-O	Cyclin-dependent Kinase 4/cyclin D1 (cluster #1 Of 2), Other	Other	3700	0.28	Binding ≤ 10μM
Z104296-1-O	Cyclin-dependent Kinase 1/cyclin B1 (cluster #1 Of 2), Other	Other	2500	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z104296	Z104296	Cyclin-dependent Kinase 1/cyclin B1	2500	0.29	Binding ≤ 10μM
CDK2_HUMAN	P24941	Cyclin-dependent Kinase 2, Human	9690	0.26	Binding ≤ 10μM
Z104295	Z104295	Cyclin-dependent Kinase 4/cyclin D1	3700	0.28	Binding ≤ 10μM
CCNE1_HUMAN	P24864	G1/S-specific Cyclin E1, Human	9690	0.26	Binding ≤ 10μM
CCNE2_HUMAN	O96020	G1/S-specific Cyclin E2, Human	9690	0.26	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)	-1.55	1.6	-81.22	5	7	2	101	376.453	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.04	3.48	-55.41	4	7	1	99	375.445	2	↓ MOL2 SDF SMILES Flexibase

36144284

Analogs

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Popular Name: 2-morpholino-7-[(1-oxidopyridin-1-ium-2-yl)methoxy]chromen-4-one 2-morpholino-7-[(1-oxidopyridin-…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PRKDC-1-E	DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9320	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PRKDC_HUMAN	P78527	DNA-dependent Protein Kinase, Human	9320	0.27	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.65	4.71	-41.94	1	7	1	80	355.37	3	↓ MOL2 SDF SMILES Flexibase

36144286

Analogs

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Popular Name: 2-morpholino-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]chromen-4-one 2-morpholino-7-[(1-oxidopyridin-…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PRKDC-1-E	DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic	Eukaryotes	8180	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PRKDC_HUMAN	P78527	DNA-dependent Protein Kinase, Human	8180	0.27	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.56	4.68	-49.93	1	7	1	80	355.37	3	↓ MOL2 SDF SMILES Flexibase

36144947

Analogs

4737621

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[(2Z)-3-(1H-benzimidazol-2-yl)-6-methoxy-2H-chromen-2-ylidene]benzohydrazide N'-[(2Z)-3-(1H-benzimidazol-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)	5.09	8.62	-33.46	3	7	1	94	411.441	4	↓ MOL2 SDF SMILES Flexibase

20615212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-carbamoyl-6-methoxy-chromen-2-ylidene)amino]quinoline-3-carboxamide N-[(3-carbamoyl-6-methoxy-chrome…

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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	3.58	-33.85	4	8	1	121	389.391	4	↓ MOL2 SDF SMILES Flexibase

20615214

Analogs

3028082

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-carbamoyl-7-diethylamino-chromen-2-ylidene)amino]quinoline-3-carboxamide N-[(3-carbamoyl-7-diethylamino-c…

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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)	3.08	6.56	-30.76	4	8	1	115	430.488	6	↓ MOL2 SDF SMILES Flexibase

20615216

Analogs

3028087

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorobenzoyl)hydrazono]-8-methoxy-chromene-3-carboxamid (2Z)-N-[2-(3,4-dimethoxyphenyl)e…

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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)	4.24	9.15	-37.61	3	9	1	113	520.537	9	↓ MOL2 SDF SMILES Flexibase

20615218

Analogs

4460313

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Popular Name: (2Z)-N-benzyl-8-methoxy-2-[(4-methoxybenzoyl)hydrazono]chromene-3-carboxamide (2Z)-N-benzyl-8-methoxy-2-[(4-me…

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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)	4.10	8.41	-31.89	3	8	1	104	458.494	7	↓ MOL2 SDF SMILES Flexibase

20615220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-benzyl-2-[(3-fluorobenzoyl)hydrazono]-8-methoxy-chromene-3-carboxamide (2Z)-N-benzyl-2-[(3-fluorobenzoy…

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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)	4.19	9.16	-29.62	3	7	1	95	446.458	6	↓ MOL2 SDF SMILES Flexibase

20615222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-benzyl-2-[(3-methoxybenzoyl)hydrazono]chromene-3-carboxamide (2Z)-N-benzyl-2-[(3-methoxybenzo…

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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	8.51	-34.71	3	7	1	95	428.468	6	↓ MOL2 SDF SMILES Flexibase

20615224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-benzyl-2-[(3-fluorobenzoyl)hydrazono]chromene-3-carboxamide (2Z)-N-benzyl-2-[(3-fluorobenzoy…

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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)	4.18	8.71	-36.06	3	6	1	85	416.432	5	↓ MOL2 SDF SMILES Flexibase

20615226

Analogs

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Popular Name: (2Z)-N-benzyl-2-(thiophene-2-carbonylhydrazono)chromene-3-carboxamide (2Z)-N-benzyl-2-(thiophene-2-car…

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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)	3.94	7.67	-31.66	3	6	1	85	404.471	5	↓ MOL2 SDF SMILES Flexibase

20615228

Analogs

3028127

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-2-(furan-2-carbonylhydrazono)chromene-3-carboxamide (2Z)-N-[2-(3,4-dimethoxyphenyl)e…

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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)	3.73	8.05	-36.28	3	10	1	126	506.535	10	↓ MOL2 SDF SMILES Flexibase

20615230

Analogs

3028137

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-2-(thiophene-2-carbonylhydrazono)chromene-3-carboxami (2Z)-N-[2-(3,4-dimethoxyphenyl)e…

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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	9.03	-35.72	3	9	1	113	522.603	10	↓ MOL2 SDF SMILES Flexibase

20615232

Analogs

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Popular Name: (2Z)-N-benzyl-7-methoxy-2-[(4-methoxybenzoyl)hydrazono]chromene-3-carboxamide (2Z)-N-benzyl-7-methoxy-2-[(4-me…

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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)	4.13	7.87	-33.76	3	8	1	104	458.494	7	↓ MOL2 SDF SMILES Flexibase

20615236

Analogs

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Popular Name: (2Z)-8-methoxy-2-[[2-(2-methylphenoxy)acetyl]hydrazono]chromene-3-carboxamide (2Z)-8-methoxy-2-[[2-(2-methylph…

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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)	2.64	4.99	-37.37	4	8	1	118	382.396	6	↓ MOL2 SDF SMILES Flexibase

20615239

Analogs

3037804

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Popular Name: (2Z)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazono]-N-(4-ethylphenyl)chromene-3-carboxamide (2Z)-2-[(2,5-dimethoxyphenyl)sul…

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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)	5.17	7.2	-32	3	9	1	121	508.576	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.17	7.43	-27.08	2	9	0	123	507.568	8	↓ MOL2 SDF SMILES Flexibase

20615242

Analogs

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Popular Name: N-[[8-methoxy-3-(p-tolylsulfonyl)chromen-2-ylidene]amino]-3,4-dimethyl-benzenesulfonamide N-[[8-methoxy-3-(p-tolylsulfonyl…

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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)	5.45	6.6	-32.15	2	8	1	117	513.617	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.45	6.9	-33.74	1	8	0	119	512.609	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.45	7.39	-26.28	1	8	0	119	512.609	6	↓ MOL2 SDF SMILES Flexibase

20615244

Analogs

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Popular Name: 4-tert-butyl-N-[[3-(p-tolylsulfonyl)chromen-2-ylidene]amino]benzenesulfonamide 4-tert-butyl-N-[[3-(p-tolylsulfo…

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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)	6.32	7.95	-31.26	2	7	1	107	511.645	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.32	7.31	-19.42	1	7	0	106	510.637	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	6.32	8.22	-25.24	1	7	0	109	510.637	6	↓ MOL2 SDF SMILES Flexibase

20615251

Analogs

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Popular Name: (2Z)-6-bromo-2-[2-chloro-5-(trifluoromethyl)phenyl]imino-chromene-3-carboxamide (2Z)-6-bromo-2-[2-chloro-5-(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)	5.46	6.91	-30.01	3	4	1	70	446.63	3	↓ MOL2 SDF SMILES Flexibase

36331962

Analogs

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Popular Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-chromen-2-yl]-2-(4-benzyl-1-piperidyl)acetamide N-[3-(1,3-benzodioxol-5-yl)-4-ox…

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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)	5.98	12.68	-98.44	3	7	2	87	498.579	5	↓ MOL2 SDF SMILES Flexibase

36338379

Analogs

35808698

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Popular Name: ethyl ethyl

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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)	4.97	12.05	-98.99	3	7	2	95	450.535	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.70	11.44	-19.42	1	7	0	89	448.519	7	↓ MOL2 SDF SMILES Flexibase

13281264

Analogs

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Popular Name: 2-(2-imino-4-methyl-chromene-3-carboximidoyl)propanedinitrile 2-(2-imino-4-methyl-chromene-3-c…

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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)	0.36	2.88	-40.34	4	5	1	112	251.269	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.82	2.34	-8.84	2	5	0	108	250.261	2	↓ MOL2 SDF SMILES Flexibase

13425278

Analogs

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Popular Name: (2Z)-N-[5-ethyl-4-(4-isopropylphenyl)thiazol-2-yl]-8-methoxy-2-phenylimino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-isopropylph…

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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)	8.25	14.46	-30.63	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425279

Analogs

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Popular Name: (2Z)-N-[4-(2,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-phenylimino-chromene-3-carboxamide (2Z)-N-[4-(2,4-dimethylphenyl)-5…

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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)	7.60	13.86	-23.21	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425280

Analogs

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Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	7.22	13.22	-31.03	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425281

Analogs

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Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

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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)	7.67	13.9	-31.09	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425282

Analogs

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Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-methoxy-2-(p-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

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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)	8.07	13.87	-25.77	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425283

Analogs

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Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

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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)	8.04	14.43	-31.57	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(4-ethylphenyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-ethylphenyl…

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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)	8.13	14.66	-30.92	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425285

Analogs

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Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	7.22	12.66	-25.58	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425286

Analogs

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Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	7.20	13.22	-31.34	1	6	0	77	495.604	6	↓ MOL2 SDF SMILES Flexibase

13425287

Analogs

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Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

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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)	7.67	13.33	-25.59	1	6	0	77	509.631	6	↓ MOL2 SDF SMILES Flexibase

13425288

Analogs

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Popular Name: (2Z)-N-[4-(3,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(3,4-dimethylphenyl)-5…

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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)	8.02	14.41	-31.82	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(4-ethylphenyl)thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(4-ethylphenyl…

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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)	8.10	14.65	-31.27	1	6	0	77	523.658	7	↓ MOL2 SDF SMILES Flexibase

13425290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,4-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,4-dimethylphenyl)-5…

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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)	8.02	14.52	-23.54	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,5-dimethylphenyl)-5…

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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)	8.04	13.95	-18.6	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[4-(2,5-dimethylphenyl)-5-ethyl-thiazol-2-yl]-8-methoxy-2-(m-tolylimino)chromene-3-carboxamid (2Z)-N-[4-(2,5-dimethylphenyl)-5…

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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)	8.02	14.51	-23.61	1	6	0	77	523.658	6	↓ MOL2 SDF SMILES Flexibase

13425293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	6.85	11.27	-24.95	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	6.83	11.82	-30.46	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-8-methoxy-2-(4-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

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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)	7.28	12.51	-30.47	1	7	0	86	525.63	7	↓ MOL2 SDF SMILES Flexibase

13425296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-6-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	6.83	11.28	-26.72	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425297

Analogs

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Popular Name: (2Z)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-8-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-(5-ethyl-4-phenyl-thiazol…

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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)	6.80	11.88	-33.73	1	7	0	86	511.603	7	↓ MOL2 SDF SMILES Flexibase

13425298

Analogs

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Popular Name: (2Z)-N-[5-ethyl-4-(p-tolyl)thiazol-2-yl]-6-methoxy-2-(3-methoxyphenyl)imino-chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(p-tolyl)thiaz…

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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)	7.28	11.94	-26.84	1	7	0	86	525.63	7	↓ MOL2 SDF SMILES Flexibase

13425381

Analogs

9059428

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-6-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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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)	7.03	11.72	-25.76	1	6	0	77	501.633	6	↓ MOL2 SDF SMILES Flexibase

13425382

Analogs

9059429

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-8-methoxy-2-(p-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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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)	7.00	12.28	-31.6	1	6	0	77	501.633	6	↓ MOL2 SDF SMILES Flexibase

13425383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-N-[5-ethyl-4-(2-thienyl)thiazol-2-yl]-6-methoxy-2-(m-tolylimino)chromene-3-carboxamide (2Z)-N-[5-ethyl-4-(2-thienyl)thi…

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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)	7.00	11.7	-26.05	1	6	0	77	501.633	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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