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)	-0.57	-1.02	-59.78	3	3	1	62	162.234	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.57	-1.35	-11.24	2	3	0	60	161.226	0	↓ MOL2 SDF SMILES Flexibase

62963383

Analogs

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Popular Name: (1S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-amine (1S,3R)-5,5-dioxo-5$l^{6}-thiasp…

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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)	-0.57	-1.01	-56.51	3	3	1	62	162.234	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.57	-1.33	-10.23	2	3	0	60	161.226	0	↓ MOL2 SDF SMILES Flexibase

62963384

Analogs

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Popular Name: (1R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-amine (1R,3S)-5,5-dioxo-5$l^{6}-thiasp…

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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)	-0.57	-1.01	-61.09	3	3	1	62	162.234	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.57	-1.31	-10.48	2	3	0	60	161.226	0	↓ MOL2 SDF SMILES Flexibase

62963385

Analogs

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Popular Name: (1R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-amine (1R,3R)-5,5-dioxo-5$l^{6}-thiasp…

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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)	-0.57	-0.99	-54.52	3	3	1	62	162.234	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.57	-1.29	-11.7	2	3	0	60	161.226	0	↓ MOL2 SDF SMILES Flexibase

62963551

Analogs

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Popular Name: [(1S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanamine [(1S,3S)-5,5-dioxo-5$l^{6}-thias…

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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)	-0.67	-0.51	-59.51	3	3	1	62	176.261	1	↓ MOL2 SDF SMILES Flexibase

62963552

Analogs

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Popular Name: [(1S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanamine [(1S,3R)-5,5-dioxo-5$l^{6}-thias…

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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)	-0.67	-0.57	-55.79	3	3	1	62	176.261	1	↓ MOL2 SDF SMILES Flexibase

62963553

Analogs

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Popular Name: [(1R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanamine [(1R,3S)-5,5-dioxo-5$l^{6}-thias…

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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)	-0.67	-0.57	-60.51	3	3	1	62	176.261	1	↓ MOL2 SDF SMILES Flexibase

62963554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanamine [(1R,3R)-5,5-dioxo-5$l^{6}-thias…

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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)	-0.67	-0.57	-54.65	3	3	1	62	176.261	1	↓ MOL2 SDF SMILES Flexibase

62963555

Analogs

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Popular Name: 1-[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]-N-methyl-methanamine 1-[(2R,3R)-5,5-dioxo-5$l^{6}-thi…

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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)	0.31	1.32	-53.74	2	3	1	51	190.288	2	↓ MOL2 SDF SMILES Flexibase

62963556

Analogs

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Popular Name: 1-[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]-N-methyl-methanamine 1-[(2S,3R)-5,5-dioxo-5$l^{6}-thi…

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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)	0.31	1.33	-55.43	2	3	1	51	190.288	2	↓ MOL2 SDF SMILES Flexibase

62963557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]-N-methyl-methanamine 1-[(2R,3S)-5,5-dioxo-5$l^{6}-thi…

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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)	0.31	1.4	-53.24	2	3	1	51	190.288	2	↓ MOL2 SDF SMILES Flexibase

62963558

Analogs

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Popular Name: 1-[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]-N-methyl-methanamine 1-[(2S,3S)-5,5-dioxo-5$l^{6}-thi…

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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)	0.31	1.35	-52.3	2	3	1	51	190.288	2	↓ MOL2 SDF SMILES Flexibase

62963559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]ethanamine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.34	2.17	-53.07	2	3	1	51	204.315	3	↓ MOL2 SDF SMILES Flexibase

62963560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]ethanamine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.34	2.18	-54.9	2	3	1	51	204.315	3	↓ MOL2 SDF SMILES Flexibase

62963561

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]ethanamine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.34	2.25	-52.62	2	3	1	51	204.315	3	↓ MOL2 SDF SMILES Flexibase

62963562

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]ethanamine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.34	2.2	-51.51	2	3	1	51	204.315	3	↓ MOL2 SDF SMILES Flexibase

62963563

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-1-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.84	2.93	-54.18	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

62963564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-1-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.84	2.93	-56.08	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

62963565

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-1-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.84	3	-53.71	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

62963566

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-1-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.84	2.95	-52.64	2	3	1	51	218.342	4	↓ MOL2 SDF SMILES Flexibase

62963567

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-2-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.98	2.71	-51.87	2	3	1	51	218.342	3	↓ MOL2 SDF SMILES Flexibase

62963568

Analogs

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Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-2-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.98	2.7	-53.55	2	3	1	51	218.342	3	↓ MOL2 SDF SMILES Flexibase

62963569

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-2-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.98	2.77	-51.35	2	3	1	51	218.342	3	↓ MOL2 SDF SMILES Flexibase

62963570

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]propan-2-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.98	2.73	-50.36	2	3	1	51	218.342	3	↓ MOL2 SDF SMILES Flexibase

62963571

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]cyclopropanamine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.68	2.89	-51.99	2	3	1	51	216.326	3	↓ MOL2 SDF SMILES Flexibase

62963572

Analogs

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Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]cyclopropanamine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	0.68	2.9	-53.74	2	3	1	51	216.326	3	↓ MOL2 SDF SMILES Flexibase

62963573

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]cyclopropanamine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.68	2.97	-51.55	2	3	1	51	216.326	3	↓ MOL2 SDF SMILES Flexibase

62963574

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]cyclopropanamine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	0.68	2.92	-50.47	2	3	1	51	216.326	3	↓ MOL2 SDF SMILES Flexibase

62963575

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	1.50	3.13	-50.52	2	3	1	51	232.369	3	↓ MOL2 SDF SMILES Flexibase

62963576

Analogs

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Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	1.50	3.13	-52.13	2	3	1	51	232.369	3	↓ MOL2 SDF SMILES Flexibase

62963577

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	1.50	3.2	-50.07	2	3	1	51	232.369	3	↓ MOL2 SDF SMILES Flexibase

62963578

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-2-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	1.50	3.16	-49.03	2	3	1	51	232.369	3	↓ MOL2 SDF SMILES Flexibase

62963579

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	1.08	3.61	-54.33	2	3	1	51	232.369	4	↓ MOL2 SDF SMILES Flexibase

62963580

Analogs

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Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	1.08	3.62	-56.26	2	3	1	51	232.369	4	↓ MOL2 SDF SMILES Flexibase

62963581

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	1.08	3.68	-53.98	2	3	1	51	232.369	4	↓ MOL2 SDF SMILES Flexibase

62963582

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methyl-propan-1-amine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	1.08	3.63	-52.78	2	3	1	51	232.369	4	↓ MOL2 SDF SMILES Flexibase

62963583

Analogs

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Popular Name: N-[[(2R,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R,3R)-5,5-dioxo-5$l^{6}-th…

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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)	-0.05	1.31	-53.15	2	4	1	60	234.341	5	↓ MOL2 SDF SMILES Flexibase

62963584

Analogs

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Popular Name: N-[[(2S,3R)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S,3R)-5,5-dioxo-5$l^{6}-th…

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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)	-0.05	1.32	-55.17	2	4	1	60	234.341	5	↓ MOL2 SDF SMILES Flexibase

62963585

Analogs

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Popular Name: N-[[(2R,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2R,3S)-5,5-dioxo-5$l^{6}-th…

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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)	-0.05	1.38	-52.7	2	4	1	60	234.341	5	↓ MOL2 SDF SMILES Flexibase

62963586

Analogs

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Popular Name: N-[[(2S,3S)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-2-yl]methyl]-2-methoxy-ethanamine N-[[(2S,3S)-5,5-dioxo-5$l^{6}-th…

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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)	-0.05	1.33	-51.81	2	4	1	60	234.341	5	↓ MOL2 SDF SMILES Flexibase

62963613

Analogs

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Popular Name: [(1R,3S)-1-(aminomethyl)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanol [(1R,3S)-1-(aminomethyl)-5,5-dio…

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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)	-1.72	-3.11	-56.65	4	4	1	82	206.287	2	↓ MOL2 SDF SMILES Flexibase

62963614

Analogs

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Popular Name: [(1R,3R)-1-(aminomethyl)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanol [(1R,3R)-1-(aminomethyl)-5,5-dio…

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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)	-1.72	-3.13	-58.61	4	4	1	82	206.287	2	↓ MOL2 SDF SMILES Flexibase

62963615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3S)-1-(aminomethyl)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanol [(1S,3S)-1-(aminomethyl)-5,5-dio…

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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)	-1.72	-3.11	-60.42	4	4	1	82	206.287	2	↓ MOL2 SDF SMILES Flexibase

62963616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,3R)-1-(aminomethyl)-5,5-dioxo-5$l^{6}-thiaspiro[2.4]heptan-1-yl]methanol [(1S,3R)-1-(aminomethyl)-5,5-dio…

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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)	-1.72	-2.89	-55.73	4	4	1	82	206.287	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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