| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 42 | 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) | 6.18 | 15.05 | -100.65 | 4 | 4 | 2 | 49 | 556.75 | 8 | ↓ |
| Hi High (pH 8-9.5) | 6.18 | 14.03 | -5.78 | 2 | 4 | 0 | 47 | 554.734 | 8 | ↓ |
| Hi High (pH 8-9.5) | 6.18 | 14.2 | -39.5 | 3 | 4 | 1 | 48 | 555.742 | 8 | ↓ |
| Hi High (pH 8-9.5) | 6.18 | 14.53 | -40.93 | 3 | 4 | 1 | 48 | 555.742 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
