| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2009 | 12 | Yes |
Popular Name: 2-[1-(aminomethyl)-3-methylcyclopentyl]acetic acid 2-[1-(aminomethyl)-3-methylcyclo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1461713-35-8 , 219135-91-8
| 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 (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.12 | 3.85 | -49.58 | 3 | 3 | 0 | 68 | 171.24 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO1999021824A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| O77773-1-E | Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.88 | Binding ≤ 10μM |
| O77773-1-E | Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 82 | 0.83 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| O77773_PIG | O77773 | Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig | 82 | 0.83 | Binding ≤ 1μM |
| O77773_PIG | O77773 | Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig | 82 | 0.83 | Binding ≤ 10μM |
