| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 29 | No |
Popular Name: (5R)-4-acetyl-5-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-keto-3-pyrrolin-3-olate (5R)-4-acetyl-5-(4-ethylphenyl)-…
| 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) | 3.65 | 10.65 | -42.66 | 1 | 5 | -1 | 76 | 387.459 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | -0.01 | -23.25 | 2 | 5 | 0 | 73 | 388.467 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 0.1 | -23.31 | 1 | 5 | 0 | 70 | 388.467 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 2100 | 0.27 | Binding ≤ 10μM |
