ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

70100469

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,4-dimethyl-tetralin-1-amine (1R)-N-[(1S)-2-cyclopropyl-1-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)	3.75	9.95	-37.44	2	1	1	17	258.429	4	↓ MOL2 SDF SMILES Flexibase

70100470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,4-dimethyl-tetralin-1-amine (1R)-N-[(1R)-2-cyclopropyl-1-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)	3.75	10.55	-35.26	2	1	1	17	258.429	4	↓ MOL2 SDF SMILES Flexibase

70100471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-4,4-dimethyl-tetralin-1-amine (1S)-N-[(1S)-2-cyclopropyl-1-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)	3.75	10.55	-35.31	2	1	1	17	258.429	4	↓ MOL2 SDF SMILES Flexibase

70100472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-4,4-dimethyl-tetralin-1-amine (1S)-N-[(1R)-2-cyclopropyl-1-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)	3.75	9.93	-37.45	2	1	1	17	258.429	4	↓ MOL2 SDF SMILES Flexibase

70100497

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetralin-1-amine (1R)-N-[(1S)-2-cyclopropyl-1-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)	3.03	9.12	-36.74	2	1	1	17	230.375	4	↓ MOL2 SDF SMILES Flexibase

70100498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetralin-1-amine (1R)-N-[(1R)-2-cyclopropyl-1-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)	3.03	9.77	-35.19	2	1	1	17	230.375	4	↓ MOL2 SDF SMILES Flexibase

70100499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]tetralin-1-amine (1S)-N-[(1S)-2-cyclopropyl-1-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)	3.03	9.73	-34.6	2	1	1	17	230.375	4	↓ MOL2 SDF SMILES Flexibase

70100500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]tetralin-1-amine (1S)-N-[(1R)-2-cyclopropyl-1-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)	3.03	9.11	-36.73	2	1	1	17	230.375	4	↓ MOL2 SDF SMILES Flexibase

70101058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-methoxy-tetralin-1-amine (1R)-N-[(1S)-2-cyclopropyl-1-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)	3.06	8.35	-39.1	2	2	1	26	260.401	5	↓ MOL2 SDF SMILES Flexibase

70101059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-methoxy-tetralin-1-amine (1R)-N-[(1R)-2-cyclopropyl-1-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)	3.06	9.02	-37.98	2	2	1	26	260.401	5	↓ MOL2 SDF SMILES Flexibase

70101060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-6-methoxy-tetralin-1-amine (1S)-N-[(1S)-2-cyclopropyl-1-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)	3.06	9.03	-38.08	2	2	1	26	260.401	5	↓ MOL2 SDF SMILES Flexibase

70101061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-6-methoxy-tetralin-1-amine (1S)-N-[(1R)-2-cyclopropyl-1-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)	3.06	8.41	-40.25	2	2	1	26	260.401	5	↓ MOL2 SDF SMILES Flexibase

70101428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]tetralin-6-ol (1R)-1-[[(1S)-2-cyclopropyl-1-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)	2.53	6.2	-39.51	3	2	1	37	246.374	4	↓ MOL2 SDF SMILES Flexibase

70101429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]tetralin-6-ol (1R)-1-[[(1R)-2-cyclopropyl-1-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)	2.53	6.86	-38.42	3	2	1	37	246.374	4	↓ MOL2 SDF SMILES Flexibase

70101430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]tetralin-6-ol (1S)-1-[[(1S)-2-cyclopropyl-1-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)	2.53	6.87	-38.16	3	2	1	37	246.374	4	↓ MOL2 SDF SMILES Flexibase

70101431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]tetralin-6-ol (1S)-1-[[(1R)-2-cyclopropyl-1-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)	2.53	6.26	-40.48	3	2	1	37	246.374	4	↓ MOL2 SDF SMILES Flexibase

70105206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-4,4-dimethyl-tetralin-1-amine (1R)-N-[(1S)-1-(cyclopropylmethy…

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)	4.29	10.97	-33.67	2	1	1	17	272.456	5	↓ MOL2 SDF SMILES Flexibase

70105207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-4,4-dimethyl-tetralin-1-amine (1R)-N-[(1R)-1-(cyclopropylmethy…

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)	4.29	10.98	-34.65	2	1	1	17	272.456	5	↓ MOL2 SDF SMILES Flexibase

70105208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-4,4-dimethyl-tetralin-1-amine (1S)-N-[(1S)-1-(cyclopropylmethy…

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)	4.29	11.15	-33.95	2	1	1	17	272.456	5	↓ MOL2 SDF SMILES Flexibase

70105209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-4,4-dimethyl-tetralin-1-amine (1S)-N-[(1R)-1-(cyclopropylmethy…

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)	4.29	10.95	-33.86	2	1	1	17	272.456	5	↓ MOL2 SDF SMILES Flexibase

70105244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(cyclopropylmethyl)propyl]tetralin-1-amine (1R)-N-[(1S)-1-(cyclopropylmethy…

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	10.13	-33.07	2	1	1	17	244.402	5	↓ MOL2 SDF SMILES Flexibase

70105245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(cyclopropylmethyl)propyl]tetralin-1-amine (1R)-N-[(1R)-1-(cyclopropylmethy…

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	10.21	-34.77	2	1	1	17	244.402	5	↓ MOL2 SDF SMILES Flexibase

70105246

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(cyclopropylmethyl)propyl]tetralin-1-amine (1S)-N-[(1S)-1-(cyclopropylmethy…

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	10.31	-33.33	2	1	1	17	244.402	5	↓ MOL2 SDF SMILES Flexibase

70105247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(cyclopropylmethyl)propyl]tetralin-1-amine (1S)-N-[(1R)-1-(cyclopropylmethy…

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	10.15	-34.05	2	1	1	17	244.402	5	↓ MOL2 SDF SMILES Flexibase

70105744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(cyclopropylmethyl)propyl]-6-methoxy-tetralin-1-amine (1R)-N-[(1S)-1-(cyclopropylmethy…

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)	3.60	9.45	-37.41	2	2	1	26	274.428	6	↓ MOL2 SDF SMILES Flexibase

70105745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(cyclopropylmethyl)propyl]-6-methoxy-tetralin-1-amine (1R)-N-[(1R)-1-(cyclopropylmethy…

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)	3.60	9.5	-38.16	2	2	1	26	274.428	6	↓ MOL2 SDF SMILES Flexibase

70105746

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-6-methoxy-tetralin-1-amine (1S)-N-[(1S)-1-(cyclopropylmethy…

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)	3.60	9.6	-36.71	2	2	1	26	274.428	6	↓ MOL2 SDF SMILES Flexibase

70105747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-6-methoxy-tetralin-1-amine (1S)-N-[(1R)-1-(cyclopropylmethy…

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)	3.60	9.43	-37.37	2	2	1	26	274.428	6	↓ MOL2 SDF SMILES Flexibase

70106116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1S)-1-(cyclopropylmethyl)propyl]amino]tetralin-6-ol (1R)-1-[[(1S)-1-(cyclopropylmeth…

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)	3.06	7.3	-37.95	3	2	1	37	260.401	5	↓ MOL2 SDF SMILES Flexibase

70106117

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1R)-1-(cyclopropylmethyl)propyl]amino]tetralin-6-ol (1R)-1-[[(1R)-1-(cyclopropylmeth…

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)	3.06	7.35	-38.65	3	2	1	37	260.401	5	↓ MOL2 SDF SMILES Flexibase

70106118

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1S)-1-(cyclopropylmethyl)propyl]amino]tetralin-6-ol (1S)-1-[[(1S)-1-(cyclopropylmeth…

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)	3.06	7.45	-36.76	3	2	1	37	260.401	5	↓ MOL2 SDF SMILES Flexibase

70106119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1R)-1-(cyclopropylmethyl)propyl]amino]tetralin-6-ol (1S)-1-[[(1R)-1-(cyclopropylmeth…

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)	3.06	7.28	-37.37	3	2	1	37	260.401	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 521909
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 = 521909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=521909&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": "521909"        

    });
</script>

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

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