| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 30 | 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) | 3.89 | 13.31 | -130.39 | 0 | 5 | -2 | 97 | 414.542 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.88 | 4.7 | -27.45 | 2 | 5 | 0 | 91 | 416.558 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.89 | 11.98 | -63.86 | 1 | 5 | -1 | 94 | 415.55 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.30 | 13.24 | -59.3 | 0 | 5 | -1 | 91 | 415.55 | 5 | ↓ |
