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)	2.31	7.94	-60.67	0	4	-1	60	252.334	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.31	6.64	-11.29	1	4	0	58	253.342	5	↓ MOL2 SDF SMILES Flexibase

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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)	3.08	9.59	-58	0	4	-1	60	280.388	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	7.93	-9.42	1	4	0	58	281.396	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37829267

37829268

Analogs

37079530
37079531
37080613

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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	10.12	-55.58	0	4	-1	60	280.388	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	7.58	-9.27	1	4	0	58	281.396	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37829268

37829269

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

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)	3.08	9.75	-61.46	0	4	-1	60	280.388	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	8.03	-9.89	1	4	0	58	281.396	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37829269

37829270

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

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)	3.08	9.88	-54.22	0	4	-1	60	280.388	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.08	7.56	-8.88	1	4	0	58	281.396	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37829270

37830595

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

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)	2.87	9.09	-58.35	0	4	-1	60	266.361	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.87	7.42	-9.63	1	4	0	58	267.369	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37830595

37830596

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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)	2.87	9.61	-55.8	0	4	-1	60	266.361	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.87	7.15	-9.38	1	4	0	58	267.369	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37830596

37830597

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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)	2.87	9.25	-61.84	0	4	-1	60	266.361	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.87	7.52	-10.05	1	4	0	58	267.369	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37830597

37830598

Analogs

37079530
37079531
37080613

Find On: PubMed — Wikipedia — Google

Vendors

Draw Identity 99% 90% 80% 70%

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)	2.87	9.36	-54.32	0	4	-1	60	266.361	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.87	7.18	-9.14	1	4	0	58	267.369	6	↓ MOL2 SDF SMILES Flexibase

More about ZINC37830598

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Representations (2)
Notes (0)
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Analogs (8)

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