ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

69663347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]indan-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)	3.41	8.95	-34.45	2	1	1	17	216.348	4	↓ MOL2 SDF SMILES Flexibase

69663350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]indan-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)	3.41	9.08	-34.88	2	1	1	17	216.348	4	↓ MOL2 SDF SMILES Flexibase

69663353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]indan-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)	3.41	9.15	-35.24	2	1	1	17	216.348	4	↓ MOL2 SDF SMILES Flexibase

69663356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]indan-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)	3.41	9	-36.4	2	1	1	17	216.348	4	↓ MOL2 SDF SMILES Flexibase

70101590

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-5-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]indan-1-amine (1R)-5-bromo-N-[(1S)-2-cycloprop…

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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)	4.20	9.55	-38.61	2	1	1	17	295.244	4	↓ MOL2 SDF SMILES Flexibase

70101591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-5-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]indan-1-amine (1R)-5-bromo-N-[(1R)-2-cycloprop…

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)	4.20	9.7	-39.1	2	1	1	17	295.244	4	↓ MOL2 SDF SMILES Flexibase

70101592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]indan-1-amine (1S)-5-bromo-N-[(1S)-2-cycloprop…

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)	4.20	9.77	-39.5	2	1	1	17	295.244	4	↓ MOL2 SDF SMILES Flexibase

70101593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]indan-1-amine (1S)-5-bromo-N-[(1R)-2-cycloprop…

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)	4.20	9.62	-40.73	2	1	1	17	295.244	4	↓ MOL2 SDF SMILES Flexibase

70101786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,7-dimethyl-indan-4-ol (1R,3S)-3-[[(1S)-2-cyclopropyl-1…

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)	4.08	7.51	-33.8	3	2	1	37	260.401	4	↓ MOL2 SDF SMILES Flexibase

70101787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,7-dimethyl-indan-4-ol (1S,3S)-3-[[(1S)-2-cyclopropyl-1…

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)	4.08	7.17	-36.14	3	2	1	37	260.401	4	↓ MOL2 SDF SMILES Flexibase

70101788

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,7-dimethyl-indan-4-ol (1R,3R)-3-[[(1S)-2-cyclopropyl-1…

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)	4.08	7.57	-33	3	2	1	37	260.401	4	↓ MOL2 SDF SMILES Flexibase

70101789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,7-dimethyl-indan-4-ol (1S,3R)-3-[[(1S)-2-cyclopropyl-1…

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)	4.08	7.38	-33.99	3	2	1	37	260.401	4	↓ MOL2 SDF SMILES Flexibase

70101858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]indan-4-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)	3.35	6.09	-37.19	3	2	1	37	232.347	4	↓ MOL2 SDF SMILES Flexibase

70101859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]indan-4-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)	3.35	6.24	-37.56	3	2	1	37	232.347	4	↓ MOL2 SDF SMILES Flexibase

70101860

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]indan-4-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)	3.35	6.29	-38.93	3	2	1	37	232.347	4	↓ MOL2 SDF SMILES Flexibase

70101861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1R)-2-cyclopropyl-1-methyl-ethyl]amino]indan-4-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)	3.35	6.14	-40.1	3	2	1	37	232.347	4	↓ MOL2 SDF SMILES Flexibase

70105800

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	3.95	8.87	-33.77	2	1	1	17	230.375	5	↓ MOL2 SDF SMILES Flexibase

70105801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(cyclopropylmethyl)propyl]indan-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)	3.95	8.98	-35.18	2	1	1	17	230.375	5	↓ MOL2 SDF SMILES Flexibase

70105802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(cyclopropylmethyl)propyl]indan-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)	3.95	9.38	-34.1	2	1	1	17	230.375	5	↓ MOL2 SDF SMILES Flexibase

70105803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(cyclopropylmethyl)propyl]indan-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)	3.95	9.54	-35.02	2	1	1	17	230.375	5	↓ MOL2 SDF SMILES Flexibase

70106320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-5-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]indan-1-amine (1R)-5-bromo-N-[(1S)-1-(cyclopro…

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)	4.73	9.48	-37.56	2	1	1	17	309.271	5	↓ MOL2 SDF SMILES Flexibase

70106321

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-5-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]indan-1-amine (1R)-5-bromo-N-[(1R)-1-(cyclopro…

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)	4.73	9.59	-39.25	2	1	1	17	309.271	5	↓ MOL2 SDF SMILES Flexibase

70106322

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]indan-1-amine (1S)-5-bromo-N-[(1S)-1-(cyclopro…

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)	4.73	10	-38.05	2	1	1	17	309.271	5	↓ MOL2 SDF SMILES Flexibase

70106323

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-5-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]indan-1-amine (1S)-5-bromo-N-[(1R)-1-(cyclopro…

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)	4.73	10.16	-38.96	2	1	1	17	309.271	5	↓ MOL2 SDF SMILES Flexibase

70106528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1,7-dimethyl-indan-4-ol (1S,3R)-3-[[(1S)-1-(cyclopropylm…

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)	4.62	8.51	-34.27	3	2	1	37	274.428	5	↓ MOL2 SDF SMILES Flexibase

70106529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1,7-dimethyl-indan-4-ol (1S,3R)-3-[[(1R)-1-(cyclopropylm…

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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)	4.62	7.86	-32.95	3	2	1	37	274.428	5	↓ MOL2 SDF SMILES Flexibase

70106530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-1,7-dimethyl-indan-4-ol (1S,3S)-3-[[(1S)-1-(cyclopropylm…

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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)	4.62	8.07	-30.76	3	2	1	37	274.428	5	↓ MOL2 SDF SMILES Flexibase

70106531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-1,7-dimethyl-indan-4-ol (1S,3S)-3-[[(1R)-1-(cyclopropylm…

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)	4.62	8.07	-31.61	3	2	1	37	274.428	5	↓ MOL2 SDF SMILES Flexibase

70106584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1S)-1-(cyclopropylmethyl)propyl]amino]indan-4-ol (1R)-1-[[(1S)-1-(cyclopropylmeth…

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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)	3.89	6.01	-36.12	3	2	1	37	246.374	5	↓ MOL2 SDF SMILES Flexibase

70106585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[[(1R)-1-(cyclopropylmethyl)propyl]amino]indan-4-ol (1R)-1-[[(1R)-1-(cyclopropylmeth…

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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)	3.89	6.12	-37.74	3	2	1	37	246.374	5	↓ MOL2 SDF SMILES Flexibase

70106586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1S)-1-(cyclopropylmethyl)propyl]amino]indan-4-ol (1S)-1-[[(1S)-1-(cyclopropylmeth…

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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)	3.89	6.52	-37.67	3	2	1	37	246.374	5	↓ MOL2 SDF SMILES Flexibase

70106587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[[(1R)-1-(cyclopropylmethyl)propyl]amino]indan-4-ol (1S)-1-[[(1R)-1-(cyclopropylmeth…

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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)	3.89	6.68	-38.61	3	2	1	37	246.374	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 384892
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 = 384892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=384892&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": "384892"        

    });
</script>

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

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Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

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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