| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 36 | Yes |
Popular Name: (2S,3R)-N,N-diisopropyl-3-phenyl-4-(p-tolylmethylcarbamoylamino)-2-(3-pyridyl)butanamide (2S,3R)-N,N-diisopropyl-3-phenyl…
| 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) | 4.72 | 12.18 | -12.12 | 2 | 6 | 0 | 74 | 486.66 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 12.26 | -41.69 | 3 | 6 | 1 | 76 | 487.668 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNA5-1-E | Voltage-gated Potassium Channel Subunit Kv1.5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 240 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNA5_HUMAN | P22460 | Voltage-gated Potassium Channel Subunit Kv1.5, Human | 240 | 0.26 | Binding ≤ 1μM |
| KCNA5_HUMAN | P22460 | Voltage-gated Potassium Channel Subunit Kv1.5, Human | 240 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Voltage gated Potassium channels |
