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)	0.83	5	-40.51	0	3	-1	57	181.211	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.25	6.06	-18.56	0	3	0	51	182.219	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.83	3.35	-15.07	1	3	0	54	182.219	3	↓ MOL2 SDF SMILES Flexibase

69593858

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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	6.82	-7.1	0	6	0	73	373.15	2	↓ MOL2 SDF SMILES Flexibase

69593856

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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	6.82	-7.1	0	6	0	73	373.15	2	↓ MOL2 SDF SMILES Flexibase

85577540

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EndoTherm
- ENG133

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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)	3.03	6.03	-5.92	0	1	0	13	177.634	0	↓ MOL2 SDF SMILES Flexibase

22129897

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3379458

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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)	3.39	5.96	-6.89	0	1	0	13	177.634	0	↓ MOL2 SDF SMILES Flexibase

85577535

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EndoTherm
- ENA185

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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)	7.21	13.16	-4.78	1	3	0	39	456.711	5	↓ MOL2 SDF SMILES Flexibase

85577534

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EndoTherm
- ENA185

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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)	7.21	13.12	-4.91	1	3	0	39	456.711	5	↓ MOL2 SDF SMILES Flexibase

84589076

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Popular Name: Warfarin Warfarin

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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

1579847

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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)	0.58	0.55	-24.93	0	3	0	38	96.089	0	↓ MOL2 SDF SMILES Flexibase

136659

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33874840

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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)	0.45	3.57	-136.84	0	4	-2	80	156.137	2	↓ MOL2 SDF SMILES Flexibase

1518754

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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)	DL
Ref Reference (pH 7)	0.57	-0.52	-33.09	1	6	-1	87	244.028	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.05	9.23	-3.83	0	2	0	26	244.382	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.11	0.88	-13.13	2	6	0	84	245.036	↓ MOL2 SDF SMILES Flexibase

17744426

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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)	0.21	5.8	-68.88	1	4	-1	73	188.162	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.21	4.98	-29.28	2	4	0	76	189.17	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.51	4.55	-129.86	0	4	-2	76	187.154	1	↓ MOL2 SDF SMILES Flexibase

33975946

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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)	0.70	1.67	-50.16	4	5	1	76	246.29	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.86	10.86	-6.96	0	4	0	52	321.376	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.70	0.36	-8.38	3	5	0	71	245.282	2	↓ MOL2 SDF SMILES Flexibase

397122

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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)	1.31	-2.23	-58.21	1	2	-1	29	166.225	1	↓ MOL2 SDF SMILES Flexibase

14983610

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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)	2.77	4.77	-5.52	1	5	0	75	289.032	1	↓ MOL2 SDF SMILES Flexibase

8700471

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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)	1.53	6.17	-13.7	2	5	0	82	212.212	2	↓ MOL2 SDF SMILES Flexibase

16697274

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34427507
34427508
38284436
38284437
2526267

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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)	0.69	1.23	-53.79	1	6	-1	88	218.229	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.23	12.76	-52.04	3	7	1	78	421.569	5	↓ MOL2 SDF SMILES Flexibase

13355658

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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)	0.71	2.86	-41.49	2	3	1	43	132.183	4	↓ MOL2 SDF SMILES Flexibase

13355654

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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)	0.71	2.86	-41.47	2	3	1	43	132.183	4	↓ MOL2 SDF SMILES Flexibase

1656342

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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	0.77	-38.26	2	2	1	26	102.157	0	↓ MOL2 SDF SMILES Flexibase

4748462

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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	0.77	-38.25	2	2	1	26	102.157	0	↓ MOL2 SDF SMILES Flexibase

13726815

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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)	-0.30	-0.48	-43.21	5	3	1	67	144.223	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.30	-0.19	-95.92	6	3	2	68	145.231	2	↓ MOL2 SDF SMILES Flexibase

2145025

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12417873
12418133
12418135
16952643
39254859

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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)	0.39	4.42	-42.26	1	2	1	22	128.195	0	↓ MOL2 SDF SMILES Flexibase

158393

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1296023
1296024
1296026
1721942
2145025

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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)	0.39	4.42	-42.26	1	2	1	22	128.195	0	↓ MOL2 SDF SMILES Flexibase

3844208

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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)	1.69	2.61	-49.36	2	3	-1	66	188.565	1	↓ MOL2 SDF SMILES Flexibase

40556421

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Popular Name: n / a n / a

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EndoTherm
- ENF082

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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)	1.22	3.66	-46.53	1	3	-1	60	177.179	3	↓ MOL2 SDF SMILES Flexibase

82878927

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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)	4.06	-0.81	-34.72	1	4	-1	68	254.209	4	↓ MOL2 SDF SMILES Flexibase

70234400

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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)	0.88	-0.51	-44.83	1	4	-1	68	214.266	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.88	-0.66	-11.78	2	4	0	66	215.274	4	↓ MOL2 SDF SMILES Flexibase

4268037

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5934684

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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)	4.43	7.75	-5.4	2	4	0	70	420.06	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.43	5.53	-6.2	2	4	0	66	420.06	1	↓ MOL2 SDF SMILES Flexibase

4344110

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39369845

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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)	4.74	9.64	-11.7	1	4	0	51	324.424	7	↓ MOL2 SDF SMILES Flexibase

19260423

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36998725

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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)	0.02	1.75	-10.49	3	3	0	55	142.202	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.02	1.57	-47.98	4	3	1	57	143.21	2	↓ MOL2 SDF SMILES Flexibase

62334020

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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)	2.46	4.41	-3.06	0	1	0	9	199.047	0	↓ MOL2 SDF SMILES Flexibase

3860836

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39048980

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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)	2.25	3.81	-2.86	2	1	0	26	121.183	0	↓ MOL2 SDF SMILES Flexibase

84235826

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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)	3.12	5.06	-6.8	0	2	0	26	232.464	0	↓ MOL2 SDF SMILES Flexibase

12647602

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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)	2.58	7.15	-14.1	1	3	0	42	251.285	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.88	5.26	-26.61	2	3	1	44	252.293	2	↓ MOL2 SDF SMILES Flexibase

1845812

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Popular Name: 4-Methyloxazole 4-Methyloxazole

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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)	0.45	-0.24	-5.84	0	2	0	26	83.09	0	↓ MOL2 SDF SMILES Flexibase

1569825

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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)	-0.70	-4.02	-12.03	3	5	0	77	141.13	1	↓ MOL2 SDF SMILES Flexibase

84403369

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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)	-0.87	1.86	-10.69	3	6	0	94	142.118	2	↓ MOL2 SDF SMILES Flexibase

84397750

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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)	-1.33	-3.23	-12.76	5	5	0	98	126.119	1	↓ MOL2 SDF SMILES Flexibase

22061186

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22061188
34206295
34206296

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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)	5.23	8.92	-11.66	1	2	0	37	300.442	5	↓ MOL2 SDF SMILES Flexibase

22061188

Analogs

34206295
34206296
22061186

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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)	5.23	8.95	-11.96	1	2	0	37	300.442	5	↓ MOL2 SDF SMILES Flexibase

17061534

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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)	1.71	3.58	-8.5	0	4	0	72	170.175	2	↓ MOL2 SDF SMILES Flexibase

19171896

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And 28 More

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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)	0.16	2.04	-5.63	3	2	0	38	140.161	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.16	1.81	-42.58	4	2	1	40	141.169	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.16	2.59	-37.17	4	2	1	43	141.169	2	↓ MOL2 SDF SMILES Flexibase

2384046

Analogs

34462535

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And 27 More

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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)	1.25	3.6	-10.2	1	4	0	55	191.186	2	↓ MOL2 SDF SMILES Flexibase

2033896

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And 18 More

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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)	3.53	7.18	-2.44	0	0	0	0	219.509	2	↓ MOL2 SDF SMILES Flexibase

1564833

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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)	1.31	5.38	-10.84	0	3	0	42	189.214	2	↓ MOL2 SDF SMILES Flexibase

3848198

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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)	1.31	5.39	-10.95	0	3	0	42	189.214	2	↓ MOL2 SDF SMILES Flexibase

19721331

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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)	2.51	3.22	-2.95	2	2	0	39	298.909	0	↓ MOL2 SDF SMILES Flexibase

38540328

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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)	1.44	3.19	-9.96	2	3	0	52	187.145	2	↓ MOL2 SDF SMILES Flexibase

2563761

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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)	3.49	-2.82	-13.22	0	6	0	72	369.483	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = endo
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  WHERE c.free = 1 AND c.short_name LIKE 'endo' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?catalog.name=endo&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "catalog.name": "endo"        

    });
</script>