ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

1078624

Analogs

4265274
6090974
12651207

Draw Identity 99% 90% 80% 70%

Popular Name: 5-FLUOROURIDINE 5-FLUOROURIDINE

Find On: PubMed — Wikipedia — Google

Vendors

And 20 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80064-1-O	CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other	Other	50	0.57	Functional ≤ 10μM
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	5	0.65	Functional ≤ 10μM
Z80120-1-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other	Other	73	0.56	Functional ≤ 10μM
Z80136-1-O	FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other	Other	14	0.61	Functional ≤ 10μM
Z80164-1-O	HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other	Other	41	0.57	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	5	0.65	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	720	0.48	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	28	0.59	Functional ≤ 10μM
Z80269-1-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other	Other	26	0.59	Functional ≤ 10μM
Z80347-2-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other	Other	22	0.60	Functional ≤ 10μM
Z80525-2-O	SW48 (cluster #2 Of 2), Other	Other	16	0.61	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	14	0.61	Functional ≤ 10μM
Z80682-9-O	A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other	Other	1900	0.44	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	50	0.57	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	16	0.61	Functional ≤ 10μM
Z81247-7-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #7 Of 9), Other	Other	22	0.60	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	45	0.57	Functional ≤ 10μM
Z81335-3-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	47	0.57	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.68	-6.46	-14.66	4	8	0	125	262.193	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.22	-9.21	-53.85	3	8	-1	128	261.185	2	↓ MOL2 SDF SMILES Flexibase

1457

Analogs

388678
489135
3813010
3830846
3977743

Draw Identity 99% 90% 80% 70%

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYSY-1-E	Thymidylate Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7300	0.42	Binding ≤ 10μM
Z80064-6-O	CCRF-CEM (T-cell Leukemia) (cluster #6 Of 9), Other	Other	500	0.52	Functional ≤ 10μM
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	650	0.51	Functional ≤ 10μM
Z80120-3-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	92	0.58	Functional ≤ 10μM
Z80164-4-O	HT-1080 (Fibrosarcoma Cells) (cluster #4 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	45	0.61	Functional ≤ 10μM
Z80208-1-O	L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other	Other	2	0.72	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	120	0.57	Functional ≤ 10μM
Z80269-3-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #3 Of 3), Other	Other	3500	0.45	Functional ≤ 10μM
Z80347-2-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other	Other	15	0.64	Functional ≤ 10μM
Z80525-2-O	SW48 (cluster #2 Of 2), Other	Other	130	0.57	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80682-9-O	A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other	Other	1000	0.49	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	50	0.60	Functional ≤ 10μM
Z81048-1-O	TSU (Prostatic Carcinoma Cells) (cluster #1 Of 2), Other	Other	58	0.60	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	760	0.50	Functional ≤ 10μM
Z81137-1-O	L929 (Fibroblast Cells) (cluster #1 Of 2), Other	Other	7700	0.42	Functional ≤ 10μM
Z81170-4-O	LNCaP (Prostate Carcinoma) (cluster #4 Of 5), Other	Other	69	0.59	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	3	0.70	Functional ≤ 10μM
Z81335-3-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	49	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.72	-5.12	-11.33	3	7	0	105	246.194	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.26	-7.87	-48.56	2	7	-1	108	245.186	2	↓ MOL2 SDF SMILES Flexibase

388678

Analogs

3977743
3977744
4045293
1457

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYSY-1-E	Thymidylate Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7300	0.42	Binding ≤ 10μM
Z80064-6-O	CCRF-CEM (T-cell Leukemia) (cluster #6 Of 9), Other	Other	500	0.52	Functional ≤ 10μM
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	650	0.51	Functional ≤ 10μM
Z80120-3-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	92	0.58	Functional ≤ 10μM
Z80164-4-O	HT-1080 (Fibrosarcoma Cells) (cluster #4 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	45	0.61	Functional ≤ 10μM
Z80208-1-O	L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other	Other	2	0.72	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	120	0.57	Functional ≤ 10μM
Z80269-3-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #3 Of 3), Other	Other	3500	0.45	Functional ≤ 10μM
Z80347-2-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other	Other	15	0.64	Functional ≤ 10μM
Z80525-2-O	SW48 (cluster #2 Of 2), Other	Other	130	0.57	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80682-9-O	A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other	Other	1000	0.49	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	50	0.60	Functional ≤ 10μM
Z81048-1-O	TSU (Prostatic Carcinoma Cells) (cluster #1 Of 2), Other	Other	58	0.60	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	760	0.50	Functional ≤ 10μM
Z81137-1-O	L929 (Fibroblast Cells) (cluster #1 Of 2), Other	Other	7700	0.42	Functional ≤ 10μM
Z81170-4-O	LNCaP (Prostate Carcinoma) (cluster #4 Of 5), Other	Other	69	0.59	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	3	0.70	Functional ≤ 10μM
Z81335-3-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	49	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.72	-4.03	-17.41	3	7	0	105	246.194	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.26	-6.78	-57.51	2	7	-1	108	245.186	2	↓ MOL2 SDF SMILES Flexibase

489135

Analogs

3977743
3977744
4045293
1457

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYSY-1-E	Thymidylate Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7300	0.42	Binding ≤ 10μM
Z80064-6-O	CCRF-CEM (T-cell Leukemia) (cluster #6 Of 9), Other	Other	500	0.52	Functional ≤ 10μM
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	650	0.51	Functional ≤ 10μM
Z80120-3-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	92	0.58	Functional ≤ 10μM
Z80164-4-O	HT-1080 (Fibrosarcoma Cells) (cluster #4 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	45	0.61	Functional ≤ 10μM
Z80208-1-O	L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other	Other	2	0.72	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	120	0.57	Functional ≤ 10μM
Z80269-3-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #3 Of 3), Other	Other	3500	0.45	Functional ≤ 10μM
Z80347-2-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other	Other	15	0.64	Functional ≤ 10μM
Z80525-2-O	SW48 (cluster #2 Of 2), Other	Other	130	0.57	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80682-9-O	A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other	Other	1000	0.49	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	50	0.60	Functional ≤ 10μM
Z81048-1-O	TSU (Prostatic Carcinoma Cells) (cluster #1 Of 2), Other	Other	58	0.60	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	760	0.50	Functional ≤ 10μM
Z81137-1-O	L929 (Fibroblast Cells) (cluster #1 Of 2), Other	Other	7700	0.42	Functional ≤ 10μM
Z81170-4-O	LNCaP (Prostate Carcinoma) (cluster #4 Of 5), Other	Other	69	0.59	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	3	0.70	Functional ≤ 10μM
Z81335-3-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	49	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.72	-4.23	-22.26	3	7	0	105	246.194	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.26	-6.98	-63.95	2	7	-1	108	245.186	2	↓ MOL2 SDF SMILES Flexibase

3830846

Analogs

3977743
3977744
4045293
1457

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TYSY-1-E	Thymidylate Synthase (cluster #1 Of 3), Eukaryotic	Eukaryotes	7300	0.42	Binding ≤ 10μM
Z80064-6-O	CCRF-CEM (T-cell Leukemia) (cluster #6 Of 9), Other	Other	500	0.52	Functional ≤ 10μM
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	650	0.51	Functional ≤ 10μM
Z80120-3-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	92	0.58	Functional ≤ 10μM
Z80164-4-O	HT-1080 (Fibrosarcoma Cells) (cluster #4 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80193-2-O	L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other	Other	45	0.61	Functional ≤ 10μM
Z80208-1-O	L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other	Other	2	0.72	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	120	0.57	Functional ≤ 10μM
Z80269-3-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #3 Of 3), Other	Other	3500	0.45	Functional ≤ 10μM
Z80347-2-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #2 Of 2), Other	Other	15	0.64	Functional ≤ 10μM
Z80525-2-O	SW48 (cluster #2 Of 2), Other	Other	130	0.57	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	120	0.57	Functional ≤ 10μM
Z80682-9-O	A549 (Lung Carcinoma Cells) (cluster #9 Of 11), Other	Other	1000	0.49	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	50	0.60	Functional ≤ 10μM
Z81048-1-O	TSU (Prostatic Carcinoma Cells) (cluster #1 Of 2), Other	Other	58	0.60	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	760	0.50	Functional ≤ 10μM
Z81137-1-O	L929 (Fibroblast Cells) (cluster #1 Of 2), Other	Other	7700	0.42	Functional ≤ 10μM
Z81170-4-O	LNCaP (Prostate Carcinoma) (cluster #4 Of 5), Other	Other	69	0.59	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	3	0.70	Functional ≤ 10μM
Z81335-3-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #3 Of 5), Other	Other	49	0.60	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.72	-4.89	-10.74	3	7	0	105	246.194	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.26	-7.64	-47.75	2	7	-1	108	245.186	2	↓ MOL2 SDF SMILES Flexibase

5828032

Analogs

5828039
5828050
5828069

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Element Store BB
- b2star-9024-00-4
- b2star-9024-06-0

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	60	0.53	Functional ≤ 10μM
Z80120-2-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other	Other	66	0.53	Functional ≤ 10μM
Z80164-1-O	HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other	Other	24	0.56	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	80	0.52	Functional ≤ 10μM
Z80269-1-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other	Other	24	0.56	Functional ≤ 10μM
Z80347-1-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #1 Of 2), Other	Other	34	0.55	Functional ≤ 10μM
Z80525-1-O	SW48 (cluster #1 Of 2), Other	Other	120	0.51	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	34	0.55	Functional ≤ 10μM
Z80682-1-O	A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other	Other	29	0.56	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	36	0.55	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	190	0.50	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	18	0.57	Functional ≤ 10μM
Z81335-2-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other	Other	43	0.54	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.82	-8.58	-11.81	4	8	0	124	268.225	2	↓ MOL2 SDF SMILES Flexibase

5828039

Analogs

5828050
5828069
5828032

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Element Store BB
- b2star-9024-00-4
- b2star-9024-06-0

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z80101-2-O	COLO 320DM (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other	Other	60	0.53	Functional ≤ 10μM
Z80120-2-O	DLD-1 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other	Other	66	0.53	Functional ≤ 10μM
Z80164-1-O	HT-1080 (Fibrosarcoma Cells) (cluster #1 Of 6), Other	Other	24	0.56	Functional ≤ 10μM
Z80268-2-O	MKN-28 (Gastric Epithelial Carcinoma Cells) (cluster #2 Of 2), Other	Other	80	0.52	Functional ≤ 10μM
Z80269-1-O	MKN-45 (Gastric Adenocarcinoma Cells) (cluster #1 Of 3), Other	Other	24	0.56	Functional ≤ 10μM
Z80347-1-O	NUGC-3 (Gastric Carcinoma Cells) (cluster #1 Of 2), Other	Other	34	0.55	Functional ≤ 10μM
Z80525-1-O	SW48 (cluster #1 Of 2), Other	Other	120	0.51	Functional ≤ 10μM
Z80532-1-O	T-24 (Bladder Carcinoma Cells) (cluster #1 Of 6), Other	Other	34	0.55	Functional ≤ 10μM
Z80682-1-O	A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other	Other	29	0.56	Functional ≤ 10μM
Z80686-1-O	AZ-521 Cell Line (cluster #1 Of 1), Other	Other	36	0.55	Functional ≤ 10μM
Z81121-1-O	KKLS Cell Line (cluster #1 Of 1), Other	Other	190	0.50	Functional ≤ 10μM
Z81330-1-O	SNU- (cluster #1 Of 1), Other	Other	18	0.57	Functional ≤ 10μM
Z81335-2-O	HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other	Other	43	0.54	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-2.82	-8.19	-11.61	4	8	0	124	268.225	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z80268-2-O
target.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z80268-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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