| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 30 | No |
None
None
| 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) | 4.86 | 8.02 | -8.51 | 1 | 5 | 0 | 63 | 407.51 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.86 | 8.59 | -41.85 | 0 | 5 | -1 | 66 | 406.502 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.86 | 10.31 | -43.95 | 2 | 5 | 1 | 64 | 408.518 | 4 | ↓ |
