| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2005 | 16 | No |
| 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) | 2.13 | -4.48 | -8.77 | 3 | 4 | 0 | 68 | 236.658 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.69e-02 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM-3-B | Methionine Aminopeptidase (cluster #3 Of 3), Bacterial | Bacteria | 6560 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPM_ECOLI | P0AE18 | Methionine Aminopeptidase, Ecoli | 1160 | 0.52 | Binding ≤ 10μM |
