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)	1.81	5.17	-9.37	3	4	0	58	233.315	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	5.04	-46.92	4	4	1	60	234.323	3	↓ MOL2 SDF SMILES Flexibase

61486235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-(aminomethyl)phenyl]-1-(cyclobutylmethyl)-1-methyl-urea 3-[4-(aminomethyl)phenyl]-1-(cyc…

Find On: PubMed — Wikipedia — Google

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)	1.92	5.32	-49.3	4	4	1	60	248.35	4	↓ MOL2 SDF SMILES Flexibase

61486238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(aminomethyl)phenyl]-1-(cyclobutylmethyl)-1-methyl-urea 3-[3-(aminomethyl)phenyl]-1-(cyc…

Find On: PubMed — Wikipedia — Google

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)	1.89	5.32	-54.89	4	4	1	60	248.35	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.89	4.91	-10.99	3	4	0	58	247.342	4	↓ MOL2 SDF SMILES Flexibase

61486486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxy-benzoic 5-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.64	5.88	-51.85	2	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

61486498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 3-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.62	7.85	-66.71	1	5	-1	72	261.301	4	↓ MOL2 SDF SMILES Flexibase

61486500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]acetic 2-[4-[[cyclobutylmethyl(methyl)c…

Find On: PubMed — Wikipedia — Google

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	8.62	-54.4	1	5	-1	72	275.328	5	↓ MOL2 SDF SMILES Flexibase

61486520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]-methyl-amino]benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	3.02	9.27	-55.72	0	5	-1	64	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methyl-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.24	8.71	-50.66	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methyl-benzoic 4-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	3.02	8.74	-56.7	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486539

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-methyl-benzoic 3-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	3.02	8.76	-67.32	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 4-chloro-2-[[cyclobutylmethyl(me…

Find On: PubMed — Wikipedia — Google

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)	3.43	8.73	-42.83	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

61486560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxy-benzoic 4-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.64	5.91	-56.91	2	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

61486561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.78	8.21	-47.56	1	5	-1	72	261.301	4	↓ MOL2 SDF SMILES Flexibase

61486562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 4-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.64	7.85	-55.41	1	5	-1	72	261.301	4	↓ MOL2 SDF SMILES Flexibase

61486569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-fluoro-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.92	8.29	-42.58	1	5	-1	72	279.291	4	↓ MOL2 SDF SMILES Flexibase

61486570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-6-fluoro-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.37	8.28	-49.16	1	5	-1	72	279.291	4	↓ MOL2 SDF SMILES Flexibase

61486576

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 4-chloro-3-[[cyclobutylmethyl(me…

Find On: PubMed — Wikipedia — Google

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)	3.25	8.48	-58.35	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

61486579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-fluoro-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.92	8.28	-42.97	1	5	-1	72	279.291	4	↓ MOL2 SDF SMILES Flexibase

61486580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-methyl-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	3.20	8.88	-47.83	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[cyclobutylmethyl(meth…

Find On: PubMed — Wikipedia — Google

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	9.14	-56.73	1	5	-1	72	287.339	5	↓ MOL2 SDF SMILES Flexibase

61486607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 5-chloro-2-[[cyclobutylmethyl(me…

Find On: PubMed — Wikipedia — Google

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)	3.43	8.72	-43.11	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

61486623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 5-bromo-2-[[cyclobutylmethyl(met…

Find On: PubMed — Wikipedia — Google

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)	3.56	8.83	-43.16	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

61486629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]acetic 2-[2-[[cyclobutylmethyl(methyl)c…

Find On: PubMed — Wikipedia — Google

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)	2.11	8.78	-46.32	1	5	-1	72	275.328	5	↓ MOL2 SDF SMILES Flexibase

61486664

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 3,5-dichloro-2-[[cyclobutylmethy…

Find On: PubMed — Wikipedia — Google

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)	4.04	9.2	-42.18	1	5	-1	72	330.191	4	↓ MOL2 SDF SMILES Flexibase

61486676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-[cyclobutylmethyl(methyl)carbamoyl]-4-methyl-anilino)acetic 2-(N-[cyclobutylmethyl(methyl)ca…

Find On: PubMed — Wikipedia — Google

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)	1.76	9.88	-43.83	0	5	-1	64	289.355	5	↓ MOL2 SDF SMILES Flexibase

61486677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(N-[cyclobutylmethyl(methyl)carbamoyl]anilino)propanoic 3-(N-[cyclobutylmethyl(methyl)ca…

Find On: PubMed — Wikipedia — Google

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)	2.50	9.86	-43.2	0	5	-1	64	289.355	6	↓ MOL2 SDF SMILES Flexibase

61486678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-[cyclobutylmethyl(methyl)carbamoyl]-4-hydroxy-anilino)acetic 2-(N-[cyclobutylmethyl(methyl)ca…

Find On: PubMed — Wikipedia — Google

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)	0.83	6.12	-49.44	1	6	-1	84	291.327	5	↓ MOL2 SDF SMILES Flexibase

61486680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(N-[cyclobutylmethyl(methyl)carbamoyl]anilino)acetic 2-(N-[cyclobutylmethyl(methyl)ca…

Find On: PubMed — Wikipedia — Google

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)	1.31	8.98	-49.65	0	5	-1	64	275.328	5	↓ MOL2 SDF SMILES Flexibase

61486683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-N-[cyclobutylmethyl(methyl)carbamoyl]anilino)acetic 2-(3-chloro-N-[cyclobutylmethyl(…

Find On: PubMed — Wikipedia — Google

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)	1.97	9.49	-47.56	0	5	-1	64	309.773	5	↓ MOL2 SDF SMILES Flexibase

61486684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-N-[cyclobutylmethyl(methyl)carbamoyl]anilino)acetic 2-(4-chloro-N-[cyclobutylmethyl(…

Find On: PubMed — Wikipedia — Google

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	9.5	-45.72	0	5	-1	64	309.773	5	↓ MOL2 SDF SMILES Flexibase

61486685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-fluoro-benzoic 3-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.74	7.96	-57.54	1	5	-1	72	279.291	4	↓ MOL2 SDF SMILES Flexibase

61486686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-hydroxy-benzoic 4-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.35	5.08	-53.61	2	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

61486696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-fluoro-benzoic 5-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.40	7.88	-51.78	1	5	-1	72	279.291	4	↓ MOL2 SDF SMILES Flexibase

61486701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2,4-difluoro-benzoic 5-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.49	7.96	-57.66	1	5	-1	72	297.281	4	↓ MOL2 SDF SMILES Flexibase

61486704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 2-chloro-5-[[cyclobutylmethyl(me…

Find On: PubMed — Wikipedia — Google

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)	2.91	8.23	-64.54	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

61486707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 4-bromo-2-[[cyclobutylmethyl(met…

Find On: PubMed — Wikipedia — Google

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)	3.56	8.84	-42.75	1	5	-1	72	340.197	4	↓ MOL2 SDF SMILES Flexibase

61486729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic 2-[3-[[cyclobutylmethyl(methyl)c…

Find On: PubMed — Wikipedia — Google

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)	2.01	8.12	-61.09	1	6	-1	82	291.327	6	↓ MOL2 SDF SMILES Flexibase

61486751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-hydroxy-benzoic 2-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.27	5.36	-46.95	2	6	-1	93	277.3	4	↓ MOL2 SDF SMILES Flexibase

61486755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-methyl-benzoic 4-[[cyclobutylmethyl(methyl)carb…

Find On: PubMed — Wikipedia — Google

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)	2.68	8.52	-55.31	1	5	-1	72	275.328	4	↓ MOL2 SDF SMILES Flexibase

61486762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-4-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic 2-chloro-4-[[cyclobutylmethyl(me…

Find On: PubMed — Wikipedia — Google

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)	2.91	8.24	-52.95	1	5	-1	72	295.746	4	↓ MOL2 SDF SMILES Flexibase

61487010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-acetylphenyl)-1-(cyclobutylmethyl)-1-methyl-urea 3-(3-acetylphenyl)-1-(cyclobutyl…

Find On: PubMed — Wikipedia — Google

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)	2.61	7.68	-17.75	1	4	0	49	260.337	4	↓ MOL2 SDF SMILES Flexibase

61487011

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-acetylphenyl)-1-(cyclobutylmethyl)-1-methyl-urea 3-(4-acetylphenyl)-1-(cyclobutyl…

Find On: PubMed — Wikipedia — Google

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)	2.63	7.7	-15.62	1	4	0	49	260.337	4	↓ MOL2 SDF SMILES Flexibase

61487012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-3-[3-[(1S)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-(cyclobutylmethyl)-3-[3-[(1S)-…

Find On: PubMed — Wikipedia — Google

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)	2.27	5.46	-9.96	2	4	0	53	262.353	4	↓ MOL2 SDF SMILES Flexibase

61487013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-3-[3-[(1R)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-(cyclobutylmethyl)-3-[3-[(1R)-…

Find On: PubMed — Wikipedia — Google

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)	2.27	5.44	-10.64	2	4	0	53	262.353	4	↓ MOL2 SDF SMILES Flexibase

61487014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-3-[4-[(1S)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-(cyclobutylmethyl)-3-[4-[(1S)-…

Find On: PubMed — Wikipedia — Google

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)	2.30	5.48	-12.22	2	4	0	53	262.353	4	↓ MOL2 SDF SMILES Flexibase

61487015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-3-[4-[(1R)-1-hydroxyethyl]phenyl]-1-methyl-urea 1-(cyclobutylmethyl)-3-[4-[(1R)-…

Find On: PubMed — Wikipedia — Google

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)	2.30	5.43	-12.4	2	4	0	53	262.353	4	↓ MOL2 SDF SMILES Flexibase

61487016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-1-methyl-3-[4-[(1S)-1-(methylamino)ethyl]phenyl]urea 1-(cyclobutylmethyl)-1-methyl-3-…

Find On: PubMed — Wikipedia — Google

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)	2.85	7.82	-40.74	3	4	1	49	276.404	5	↓ MOL2 SDF SMILES Flexibase

61487017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(cyclobutylmethyl)-1-methyl-3-[4-[(1R)-1-(methylamino)ethyl]phenyl]urea 1-(cyclobutylmethyl)-1-methyl-3-…

Find On: PubMed — Wikipedia — Google

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)	2.85	7.81	-41.54	3	4	1	49	276.404	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 20437
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 20437 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20437&filter.purchasability=annotated

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', {
        "ring.id": "20437"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations