| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2010 | 49 | 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) | 6.43 | 14.14 | -105.58 | 3 | 10 | 2 | 94 | 670.803 | 10 | ↓ |
| Hi High (pH 8-9.5) | 6.43 | 10.76 | -19.74 | 1 | 10 | 0 | 91 | 668.787 | 10 | ↓ |
| Mid Mid (pH 6-8) | 6.43 | 12.44 | -56.57 | 2 | 10 | 1 | 93 | 669.795 | 10 | ↓ |
