In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 22 | 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) | -1.83 | -2.49 | -17.31 | 3 | 9 | 0 | 152 | 304.262 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.37 | -5.15 | -48.8 | 2 | 9 | -1 | 155 | 303.254 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50459-2-O | Leishmania Donovani (cluster #2 Of 8), Other | Other | 1500 | 0.37 | Functional ≤ 10μM |
Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 1900 | 0.36 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50599 | Z50599 | Cowpox Virus | 1900 | 0.36 | Functional ≤ 10μM |
Z50459 | Z50459 | Leishmania Donovani | 1500 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.