In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 36 | 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) | 1.23 | 6.11 | -58.66 | 4 | 8 | 1 | 100 | 510.014 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 4.68 | -14.95 | 3 | 8 | 0 | 95 | 509.006 | 9 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 8.39 | -109.84 | 5 | 8 | 2 | 101 | 511.022 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 200 | 0.26 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50530 | Z50530 | Human Herpesvirus 5 | 200 | 0.26 | Functional ≤ 10μM |