| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 25 | 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) | 2.24 | 2.2 | -77.47 | 2 | 7 | -2 | 113 | 390.833 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 3.23 | -33.99 | 3 | 7 | -1 | 110 | 391.841 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 4.28 | -22.11 | 4 | 7 | 0 | 107 | 392.849 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
