| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 32 | 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) | 3.75 | 7.26 | -61.97 | 1 | 7 | -1 | 99 | 438.5 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | -1.66 | -23.42 | 1 | 7 | 0 | 93 | 439.508 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.20 | 6.23 | -30.95 | 2 | 7 | 0 | 96 | 439.508 | 9 | ↓ |
