| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 27 | 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) | 3.22 | 12.93 | -10.72 | 1 | 6 | 0 | 69 | 360.417 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 12.31 | -44.84 | 2 | 6 | 1 | 74 | 361.425 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.98 | 11.35 | -44.05 | 1 | 6 | -1 | 75 | 359.409 | 4 | ↓ |
