| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2009 | 14 | Yes |
Popular Name: Cyclopentaneacetic acid, 1-(aminomethyl)-3-propyl-, (1S,3R)- (9CI) Cyclopentaneacetic acid, 1-(amin…
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CAS Number: 342652-57-7
| 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) | 1.19 | 5.31 | -50.49 | 3 | 3 | 0 | 68 | 199.294 | 5 | ↓ |
| 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 | 29 | 0.75 | Binding ≤ 10μM |
| O77773-1-E | Voltage-dependent Calcium Channel Alpha2delta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 69 | 0.72 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| O77773_PIG | O77773 | Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig | 69 | 0.72 | Binding ≤ 1μM |
| O77773_PIG | O77773 | Voltage-dependent Calcium Channel Alpha2delta Subunit, Pig | 69 | 0.72 | Binding ≤ 10μM |
