| 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) | 4.98 | 9.44 | -9.85 | 1 | 6 | 0 | 72 | 453.579 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.98 | 8.57 | -48.64 | 0 | 6 | -1 | 75 | 452.571 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.98 | 10.87 | -34.24 | 1 | 6 | 0 | 76 | 453.579 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.98 | 10.1 | -38.52 | 2 | 6 | 1 | 73 | 454.587 | 10 | ↓ |
