| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 33 | 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) | 3.42 | 4.85 | -13.16 | 1 | 8 | 0 | 91 | 520.376 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.42 | 5.47 | -46.22 | 0 | 8 | -1 | 93 | 519.368 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.13 | -42.98 | 2 | 8 | 1 | 92 | 521.384 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.42 | 7.66 | -29.32 | 1 | 8 | 0 | 95 | 520.376 | 9 | ↓ |
