| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 32 | 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) | 4.90 | 11.15 | -16.9 | 2 | 5 | 0 | 71 | 417.468 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.90 | 11.42 | -38.06 | 3 | 5 | 1 | 72 | 418.476 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50417-3-O | Leishmania Infantum (cluster #3 Of 4), Other | Other | 4310 | 0.23 | Functional ≤ 10μM |
| Z80088-2-O | CHO (Ovarian Cells) (cluster #2 Of 4), Other | Other | 260 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80088 | Z80088 | CHO (Ovarian Cells) | 260 | 0.29 | Functional ≤ 10μM |
| Z50417 | Z50417 | Leishmania Infantum | 1100 | 0.26 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.