| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 28 | 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) | 4.77 | 14.05 | -18.12 | 1 | 5 | 0 | 60 | 428.97 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.94 | 13.77 | -45.09 | 0 | 5 | -1 | 61 | 427.962 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.94 | 14.32 | -30.43 | 2 | 5 | 1 | 65 | 429.978 | 4 | ↓ |
