| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2006 | 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) | 4.15 | 4.42 | -14.74 | 3 | 7 | 0 | 100 | 415.247 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.15 | 5.13 | -54.01 | 2 | 7 | -1 | 102 | 414.239 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.15 | 6.21 | -19.42 | 3 | 7 | 0 | 104 | 415.247 | 5 | ↓ |
