In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2009 | 28 | Yes |
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) | 2.51 | 4.72 | -19.78 | 0 | 6 | 0 | 75 | 438.424 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KPYM-1-E | Pyruvate Kinase Isozymes M1/M2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 66 | 0.36 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 66 | 0.36 | Binding ≤ 1μM |
KPYM_HUMAN | P14618 | Pyruvate Kinase Isozymes M1/M2, Human | 66 | 0.36 | Binding ≤ 10μM |