| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2007 | 38 | 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) | 3.91 | 11.52 | -78.9 | 1 | 9 | 0 | 102 | 526.63 | 13 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 8.99 | -59.63 | 0 | 9 | -1 | 101 | 525.622 | 13 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 2.53 | -53.72 | 1 | 9 | 1 | 95 | 527.638 | 13 | ↓ |
