| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2007 | 37 | 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) | 4.30 | 12.18 | -71.48 | 1 | 8 | 0 | 93 | 510.631 | 13 | ↓ |
| Hi High (pH 8-9.5) | 4.30 | 9.64 | -58.85 | 0 | 8 | -1 | 91 | 509.623 | 13 | ↓ |
| Mid Mid (pH 6-8) | 4.75 | 11.28 | -45.71 | 2 | 8 | 1 | 90 | 511.639 | 12 | ↓ |
