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61330236

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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)	0.96	6.01	-42.32	0	4	-1	60	238.288	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.96	4.01	-10.74	1	4	0	58	239.296	3	↓ MOL2 SDF SMILES Flexibase

61330237

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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)	0.96	6.07	-41.63	0	4	-1	60	238.288	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.96	4.08	-10.28	1	4	0	58	239.296	3	↓ MOL2 SDF SMILES Flexibase

61330238

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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)	0.96	5.96	-45.99	0	4	-1	60	238.288	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.96	4.02	-12.99	1	4	0	58	239.296	3	↓ MOL2 SDF SMILES Flexibase

61330241

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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)	0.96	6.19	-48.22	0	4	-1	60	238.288	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.96	4.13	-13.06	1	4	0	58	239.296	3	↓ MOL2 SDF SMILES Flexibase

61363811

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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)	1.49	5.39	-41.71	2	3	1	37	239.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.49	4.12	-8.23	1	3	0	32	238.356	4	↓ MOL2 SDF SMILES Flexibase

61363813

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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)	1.49	5.62	-41.98	2	3	1	37	239.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.49	4.35	-10.49	1	3	0	32	238.356	4	↓ MOL2 SDF SMILES Flexibase

61363815

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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)	1.49	5.44	-40.46	2	3	1	37	239.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.49	4.17	-8.15	1	3	0	32	238.356	4	↓ MOL2 SDF SMILES Flexibase

61363817

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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)	1.49	5.4	-41.74	2	3	1	37	239.364	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.49	4.12	-10.52	1	3	0	32	238.356	4	↓ MOL2 SDF SMILES Flexibase

61363819

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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)	1.99	6.15	-42.65	2	3	1	37	253.391	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	4.87	-8.16	1	3	0	32	252.383	5	↓ MOL2 SDF SMILES Flexibase

61363820

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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)	1.99	6.38	-42.88	2	3	1	37	253.391	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	5.11	-10.51	1	3	0	32	252.383	5	↓ MOL2 SDF SMILES Flexibase

61363822

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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)	1.99	6.2	-41.31	2	3	1	37	253.391	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	4.92	-8.12	1	3	0	32	252.383	5	↓ MOL2 SDF SMILES Flexibase

61363823

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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)	1.99	6.15	-42.64	2	3	1	37	253.391	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.99	4.88	-10.51	1	3	0	32	252.383	5	↓ MOL2 SDF SMILES Flexibase

61363855

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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)	1.11	4.59	-41.84	2	3	1	37	225.337	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	3.23	-8.32	1	3	0	32	224.329	3	↓ MOL2 SDF SMILES Flexibase

61363857

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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)	1.11	4.54	-43.14	2	3	1	37	225.337	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	3.17	-8.33	1	3	0	32	224.329	3	↓ MOL2 SDF SMILES Flexibase

61363859

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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)	1.11	4.55	-43.11	2	3	1	37	225.337	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	3.2	-10.7	1	3	0	32	224.329	3	↓ MOL2 SDF SMILES Flexibase

61363860

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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)	1.11	4.61	-41.63	2	3	1	37	225.337	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.11	3.26	-10.91	1	3	0	32	224.329	3	↓ MOL2 SDF SMILES Flexibase

61363861

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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)	0.20	2.71	-49.03	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.4	-8.43	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61363862

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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)	0.20	2.77	-50.03	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.46	-8.51	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61363864

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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)	0.20	2.71	-47.9	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.41	-9.63	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61363865

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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)	0.20	2.77	-46.35	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.47	-9.95	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61366665

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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)	0.20	2.74	-61.7	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.46	-8.29	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61366666

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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)	0.20	2.79	-60.99	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.51	-8.35	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61366668

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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)	0.20	2.75	-58.93	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.46	-10.08	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

61366671

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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)	0.20	3	-58.31	3	3	1	48	211.31	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.20	2.69	-10.19	2	3	0	46	210.302	2	↓ MOL2 SDF SMILES Flexibase

69972915

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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	2.09	-9.44	1	3	0	41	211.286	2	↓ MOL2 SDF SMILES Flexibase

69972918

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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	2.14	-9.13	1	3	0	41	211.286	2	↓ MOL2 SDF SMILES Flexibase

69972919

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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	2.09	-11.23	1	3	0	41	211.286	2	↓ MOL2 SDF SMILES Flexibase

69972922

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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	2.31	-11.33	1	3	0	41	211.286	2	↓ MOL2 SDF SMILES Flexibase

69973516

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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)	0.14	1.78	-8.63	1	3	0	41	197.259	2	↓ MOL2 SDF SMILES Flexibase

69973518

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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)	0.14	1.79	-9.14	1	3	0	41	197.259	2	↓ MOL2 SDF SMILES Flexibase

69973896

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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)	1.14	3.73	-9.92	1	3	0	41	239.34	2	↓ MOL2 SDF SMILES Flexibase

69973897

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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)	1.14	3.72	-9.98	1	3	0	41	239.34	2	↓ MOL2 SDF SMILES Flexibase

69973900

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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)	1.14	3.73	-11.84	1	3	0	41	239.34	2	↓ MOL2 SDF SMILES Flexibase

69973901

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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)	1.14	3.72	-11.41	1	3	0	41	239.34	2	↓ MOL2 SDF SMILES Flexibase

49511359

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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)	0.65	4.39	-62	3	3	1	48	239.364	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	4.1	-8.88	2	3	0	46	238.356	2	↓ MOL2 SDF SMILES Flexibase

49511361

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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)	0.65	4.38	-61.93	3	3	1	48	239.364	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	4.09	-8.91	2	3	0	46	238.356	2	↓ MOL2 SDF SMILES Flexibase

49511363

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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)	0.65	4.4	-58.74	3	3	1	48	239.364	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	4.11	-10.63	2	3	0	46	238.356	2	↓ MOL2 SDF SMILES Flexibase

49511365

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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)	0.65	4.39	-59.37	3	3	1	48	239.364	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.65	4.09	-10.56	2	3	0	46	238.356	2	↓ MOL2 SDF SMILES Flexibase

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