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)	4.22	9.68	-9.13	2	3	0	41	331.394	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.22	9.96	-39.66	3	3	1	42	332.402	4	↓ MOL2 SDF SMILES Flexibase

1014197

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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)	4.22	9.73	-9.18	2	3	0	41	331.394	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.22	10.01	-39.43	3	3	1	42	332.402	4	↓ MOL2 SDF SMILES Flexibase

1082070

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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)	3.70	11.77	-18.54	1	5	0	68	388.467	5	↓ MOL2 SDF SMILES Flexibase

1082071

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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	11.68	-15.19	1	5	0	68	388.467	5	↓ MOL2 SDF SMILES Flexibase

1082072

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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	11.77	-18.66	1	5	0	68	388.467	5	↓ MOL2 SDF SMILES Flexibase

1082073

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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	11.68	-15.24	1	5	0	68	388.467	5	↓ MOL2 SDF SMILES Flexibase

110441

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6255969

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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)	2.82	10.32	-13.99	1	3	0	28	299.443	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.82	-1.07	-40.45	2	3	1	29	300.451	8	↓ MOL2 SDF SMILES Flexibase

1111673

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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)	3.76	11.01	-12.65	3	8	0	105	470.558	6	↓ MOL2 SDF SMILES Flexibase

1111674

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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)	3.76	11.01	-13.04	3	8	0	105	470.558	6	↓ MOL2 SDF SMILES Flexibase

112120

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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)	2.93	-1.87	-11.94	2	3	0	36	285.416	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	-1.76	-41.29	3	3	1	38	286.424	7	↓ MOL2 SDF SMILES Flexibase

112127

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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)	2.93	-1.85	-11.82	2	3	0	36	285.416	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	-1.75	-41.21	3	3	1	38	286.424	7	↓ MOL2 SDF SMILES Flexibase

115458

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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)	3.07	6.84	-11.91	1	5	0	64	342.782	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.07	7.3	-41.56	2	5	1	66	343.79	6	↓ MOL2 SDF SMILES Flexibase

121602

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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)	2.65	2.33	-11.28	0	4	0	51	328.371	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.65	2.44	-47.87	1	4	1	53	329.379	2	↓ MOL2 SDF SMILES Flexibase

12360678

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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)	-0.04	3.97	-13.22	0	11	0	122	364.373	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.04	4.42	-45.39	1	11	1	123	365.381	8	↓ MOL2 SDF SMILES Flexibase

1244973

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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)	0.72	5.07	-53.14	1	6	-1	87	334.355	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.72	5.51	-66.51	2	6	0	88	335.363	5	↓ MOL2 SDF SMILES Flexibase

1266780

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1266781
406837

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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)	0.48	4.81	-17.26	2	7	0	105	314.297	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.48	5.29	-37.08	3	7	1	106	315.305	3	↓ MOL2 SDF SMILES Flexibase

1266781

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1266780

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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)	0.48	4.79	-17.29	2	7	0	105	314.297	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.48	5.27	-36.97	3	7	1	106	315.305	3	↓ MOL2 SDF SMILES Flexibase

1304704

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4156327
4382690
36222253

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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)	3.61	-1.12	-7.86	1	4	0	42	345.244	3	↓ MOL2 SDF SMILES Flexibase

13125285

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13125286
13125287
13125288
40983123
40983124

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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)	0.88	6.88	-12.09	1	8	0	95	286.295	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.06	7.05	-32.47	2	8	1	100	287.303	4	↓ MOL2 SDF SMILES Flexibase

13125286

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13125287
13125288
40983123
40983124
40983129

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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)	0.88	6.85	-12.24	1	8	0	95	286.295	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.06	7.01	-32.48	2	8	1	100	287.303	4	↓ MOL2 SDF SMILES Flexibase

13496891

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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)	3.00	9.64	-11.37	1	4	0	33	314.458	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.00	10.1	-48.06	2	4	1	34	315.466	6	↓ MOL2 SDF SMILES Flexibase

13496892

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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)	3.00	9.66	-11.28	1	4	0	33	314.458	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.00	10.12	-49.34	2	4	1	34	315.466	6	↓ MOL2 SDF SMILES Flexibase

13520077

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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)	2.59	8.81	-11.76	1	3	0	28	285.416	6	↓ MOL2 SDF SMILES Flexibase

13878959

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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)	1.60	8.58	-46.82	3	5	1	79	290.73	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.73	8	-40.21	3	5	1	77	290.73	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.60	8.12	-13.73	2	5	0	78	289.722	5	↓ MOL2 SDF SMILES Flexibase

13882205

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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)	3.53	11.91	-18.02	1	5	0	60	350.466	3	↓ MOL2 SDF SMILES Flexibase

1430751

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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)	3.25	-5.11	-12.63	4	7	0	123	422.901	4	↓ MOL2 SDF SMILES Flexibase

1430752

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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)	3.25	-5.12	-12.61	4	7	0	124	422.901	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.25	-5.01	-41.29	5	7	1	125	423.909	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.25	-4.38	-37.94	5	7	1	125	423.909	4	↓ MOL2 SDF SMILES Flexibase

15938256

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17282141

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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)	2.10	7.31	-6.72	1	5	0	63	244.298	5	↓ MOL2 SDF SMILES Flexibase

168815

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34625848

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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)	1.83	5.18	-13.91	1	5	0	60	284.315	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.83	5.64	-42.06	2	5	1	62	285.323	5	↓ MOL2 SDF SMILES Flexibase

17282141

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15938256

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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)	2.10	7.29	-6.6	1	5	0	63	244.298	5	↓ MOL2 SDF SMILES Flexibase

179823

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2358774
2358777

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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)	3.62	1.44	-7.23	0	5	0	57	348.189	5	↓ MOL2 SDF SMILES Flexibase

179824

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2358774
2358777

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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)	3.62	1.19	-14.13	0	5	0	57	348.189	5	↓ MOL2 SDF SMILES Flexibase

1804200

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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)	4.65	9.86	-15.87	1	5	0	60	395.182	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.65	10.41	-45.95	2	5	1	62	396.19	6	↓ MOL2 SDF SMILES Flexibase

1895750

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3671578

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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)	3.33	-8.56	-15.72	2	10	0	128	470.536	8	↓ MOL2 SDF SMILES Flexibase

190413

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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)	4.17	0.18	-5.18	0	1	0	12	284.211	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.17	0.29	-35.45	1	1	1	14	285.219	4	↓ MOL2 SDF SMILES Flexibase

19325360

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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	8.21	-8.12	0	4	0	36	381.479	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.79	10.16	-55.64	1	4	1	38	382.487	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.79	8.66	-44.33	1	4	1	38	382.487	3	↓ MOL2 SDF SMILES Flexibase

197177

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5486494

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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)	3.10	0.53	-8.36	0	3	0	31	225.247	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.10	0.64	-38.71	1	3	1	32	226.255	2	↓ MOL2 SDF SMILES Flexibase

19731794

Analogs

19855502
19855504
19855516
19855518

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Popular Name: cyclopentyl cyclopentyl

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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	11.22	-16.38	1	5	0	68	380.488	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.24	11.17	-41.08	2	5	1	70	381.496	4	↓ MOL2 SDF SMILES Flexibase

19731796

Analogs

19855502
19855504
19855516
19855518

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Popular Name: cyclopentyl cyclopentyl

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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	11.22	-16.43	1	5	0	68	380.488	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.24	11.19	-41.32	2	5	1	70	381.496	4	↓ MOL2 SDF SMILES Flexibase

197508

Analogs

299458
5856828
5862403

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Popular Name:

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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)	3.64	0.19	-8.66	1	3	0	41	294.398	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	0.3	-40.45	2	3	1	43	295.406	5	↓ MOL2 SDF SMILES Flexibase

198316

Analogs

34964259

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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)	2.11	-1.58	-12.81	0	4	0	51	284.34	3	↓ MOL2 SDF SMILES Flexibase

19893022

Analogs

19893025
31559640
36775826
36775827
36775829

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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)	3.59	9.81	-4.91	1	2	0	25	288.394	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.59	10.24	-35.61	2	2	1	26	289.402	6	↓ MOL2 SDF SMILES Flexibase

19893025

Analogs

31559640
36775826
36775827
36775829
36775841

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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)	3.59	9.89	-4.52	1	2	0	25	288.394	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.59	10.32	-35.22	2	2	1	26	289.402	6	↓ MOL2 SDF SMILES Flexibase

20192372

Analogs

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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)	2.00	5.81	-36.87	3	7	1	83	441.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	7.48	-44.75	3	7	1	83	441.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	5.12	-12.81	2	7	0	82	440.569	7	↓ MOL2 SDF SMILES Flexibase

20192376

Analogs

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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)	2.00	5.77	-36.42	3	7	1	83	441.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	7.3	-44.24	3	7	1	83	441.577	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.00	4.96	-12.49	2	7	0	82	440.569	7	↓ MOL2 SDF SMILES Flexibase

203291

Analogs

203295

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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	1.42	-11.66	1	4	0	51	296.694	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.79	1.53	-35.88	2	4	1	52	297.702	4	↓ MOL2 SDF SMILES Flexibase

203295

Analogs

203291

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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	1.23	-13.37	1	4	0	51	296.694	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.79	1.34	-37.49	2	4	1	52	297.702	4	↓ MOL2 SDF SMILES Flexibase

203980

Analogs

26507152

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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)	3.57	-0.92	-3.67	0	1	0	12	286.954	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.57	-0.82	-30.52	1	1	1	14	287.962	0	↓ MOL2 SDF SMILES Flexibase

20446904

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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)	4.14	13.07	-7.09	0	4	0	48	362.191	4	↓ MOL2 SDF SMILES Flexibase