| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 26 | 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) | 4.04 | 6.45 | -41.89 | 1 | 5 | -1 | 78 | 406.27 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.04 | 7.23 | -95.15 | 0 | 5 | -2 | 81 | 405.262 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 8.47 | -9.25 | 2 | 5 | 0 | 75 | 407.278 | 2 | ↓ |
