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)	0.76	6.17	-42.47	2	5	0	73	245.282	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.76	5.66	-47.4	1	5	-1	72	244.274	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.76	7.51	-35.67	2	5	0	73	245.282	5	↓ MOL2 SDF SMILES Flexibase

36623615

Analogs

52525333
52525334
52525336
52525337
54090

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

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)	-0.05	5.98	-27.88	2	3	0	57	229.326	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.05	4.72	-42.31	1	3	-1	52	228.318	2	↓ MOL2 SDF SMILES Flexibase

49466230

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	-0.08	8.59	-54.29	1	7	-1	100	245.218	4	↓ MOL2 SDF SMILES Flexibase

37625265

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 44719120

Activity (Go SEA)

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)	1.87	5.91	-46.1	0	4	-1	62	202.189	1	↓ MOL2 SDF SMILES Flexibase

22217125

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

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)	-0.26	4.8	-50.22	0	5	-1	73	247.274	2	↓ MOL2 SDF SMILES Flexibase

19516665

Analogs

42808338

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

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)	1.35	1.16	-45.73	1	5	-1	86	232.212	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	1.22	-108.02	0	5	-2	88	231.204	3	↓ MOL2 SDF SMILES Flexibase

1621188

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	-0.89	2.4	-36.56	0	6	-1	93	235.152	2	↓ MOL2 SDF SMILES Flexibase

72240764

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

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)	2.71	8.17	-46.75	1	5	-1	78	246.221	3	↓ MOL2 SDF SMILES Flexibase

4943008

Analogs

19872493

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Asinex
- BAS13156019
ChemBridge
- 9041984

Activity (Go SEA)

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	6.16	-40.16	1	6	-1	78	240.246	4	↓ MOL2 SDF SMILES Flexibase

56981

Analogs

32188618

Draw Identity 99% 90% 80% 70%

Popular Name: L-Abrine L-Abrine

Find On: PubMed — Wikipedia — Google

Vendors

And 48 More

Activity (Go SEA)

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)	-0.17	5.79	-29.19	3	4	0	73	218.256	4	↓ MOL2 SDF SMILES Flexibase

859745

Analogs

4291753
4291754
35005

Draw Identity 99% 90% 80% 70%

Popular Name: MFCD01821271 MFCD01821271

Find On: PubMed — Wikipedia — Google

Vendors

Specs
- AJ-264/34031005
Vitas-M
- STK327466
Asinex
- BAS01370085
Asinex Building Blocks
- BAS01370085
Innovapharm
- STT-00130765

And 7 More

Activity (Go SEA)

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	4.71	-31.37	2	4	0	66	239.296	3	↓ MOL2 SDF SMILES Flexibase

71778307

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

PubChem
- 12809232

Activity (Go SEA)

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)	2.16	8.78	-50.04	0	4	-1	66	233.243	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.16	6.78	-9.17	1	4	0	64	234.251	5	↓ MOL2 SDF SMILES Flexibase

36379565

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

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)	0.22	4.6	-59.51	1	6	-1	99	244.23	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.68	2.59	-129.17	0	6	-2	102	243.222	3	↓ MOL2 SDF SMILES Flexibase

19426303

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

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)	0.56	2.7	-49.99	0	5	-1	98	224.217	3	↓ MOL2 SDF SMILES Flexibase

20332459

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	0.46	2.6	-55.96	1	6	-1	95	248.243	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.53	1.71	-109.63	0	6	-2	101	247.235	3	↓ MOL2 SDF SMILES Flexibase

411287

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 28 More

Activity (Go SEA)

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)	0.71	2.36	-50.6	1	7	-1	104	205.153	2	↓ MOL2 SDF SMILES Flexibase

1236721

Analogs

1236722

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	-1.18	2.52	-48.09	1	7	-1	100	213.198	2	↓ MOL2 SDF SMILES Flexibase

70641672

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

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	8.46	-41.51	2	4	0	66	242.278	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.99	7.99	-47.87	1	4	-1	65	241.27	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.99	6.47	-30.93	3	4	1	63	243.286	5	↓ MOL2 SDF SMILES Flexibase

32918145

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

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)	-2.29	0.92	-42.48	1	7	-1	106	244.252	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.29	0.53	-114.89	0	7	-2	105	243.244	3	↓ MOL2 SDF SMILES Flexibase

26423456

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	0.23	0.85	-56.36	1	7	-1	108	249.231	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.29	-0.32	-112.28	0	7	-2	114	248.223	3	↓ MOL2 SDF SMILES Flexibase

1561883

Analogs

21790105
21817936

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 15 More

Activity (Go SEA)

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)	-0.60	2.26	-47.55	1	5	-1	86	228.249	5	↓ MOL2 SDF SMILES Flexibase

38874706

Analogs

37993389

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

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)	-0.40	5.26	-42.23	1	4	-1	69	242.201	4	↓ MOL2 SDF SMILES Flexibase

71384811

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

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)	-0.55	6.6	-45.67	1	5	-1	74	245.258	4	↓ MOL2 SDF SMILES Flexibase

335840

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

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)	0.42	3.88	-42.45	1	4	-1	69	224.261	5	↓ MOL2 SDF SMILES Flexibase

135108

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

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)	-0.05	5.24	-32.34	2	3	0	57	227.26	2	↓ MOL2 SDF SMILES Flexibase

811638

Analogs

16712005
16712008
16745762
16745765
16764101

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 37 More

Activity (Go SEA)

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)	1.57	8.24	-28.66	1	3	0	45	205.257	3	↓ MOL2 SDF SMILES Flexibase

71796051

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

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)	1.09	5.9	-43.29	1	6	-1	82	246.225	3	↓ MOL2 SDF SMILES Flexibase

32627919

Analogs

38003908

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	0.30	3.49	-60.04	1	6	-1	99	244.23	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.75	2.67	-122.1	0	6	-2	102	243.222	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.30	3.92	-90.36	2	6	0	100	245.238	3	↓ MOL2 SDF SMILES Flexibase

1824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Nixylic acid Nixylic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 13 More

Activity (Go SEA)

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)	3.36	9.11	-48.79	1	4	-1	65	241.27	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.36	7.95	-46.35	2	4	0	66	242.278	3	↓ MOL2 SDF SMILES Flexibase

1926646

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 22 More

Activity (Go SEA)

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	2.66	-40.61	2	6	0	87	249.27	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.96	2.93	-98.52	3	6	1	88	250.278	4	↓ MOL2 SDF SMILES Flexibase

18067753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: fos- fos-

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

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)	-2.06	-1.24	-56.83	2	7	-1	105	192.091	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-2.06	1.03	-84.12	2	7	-1	109	192.091	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-2.06	-1.12	-52.45	2	7	-1	105	192.091	2	↓ MOL2 SDF SMILES Flexibase

5764026

Analogs

5764040

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

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)	2.67	9.25	-41.39	0	3	-1	45	248.689	4	↓ MOL2 SDF SMILES Flexibase

15424094

Analogs

34653274
34938329
34938330
36745558
37024047

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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)	1.28	1.63	-48.08	1	5	-1	86	248.305	5	↓ MOL2 SDF SMILES Flexibase

3876548

Analogs

36983915
37053057

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

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)	1.48	3.36	-11.24	1	4	0	59	248.307	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.48	3.46	-39.54	0	4	-1	61	247.299	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.48	3.64	-45.02	2	4	1	60	249.315	4	↓ MOL2 SDF SMILES Flexibase

65350276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: YA-9950 YA-9950

Find On: PubMed — Wikipedia — Google

Vendors

Ryan Scientific BB
- 077-78496
SureChEMBL
- SCHEMBL2576240

Activity (Go SEA)

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)	3.45	5.65	-54.15	1	4	-1	77	247.251	3	↓ MOL2 SDF SMILES Flexibase