| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 18th, 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) | 3.21 | 9.49 | -74.09 | 1 | 7 | 0 | 83 | 438.524 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.21 | 6.97 | -59.76 | 0 | 7 | -1 | 82 | 437.516 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 9.99 | -53.58 | 2 | 7 | 1 | 81 | 439.532 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 2.7 | -46.68 | 1 | 7 | 1 | 77 | 439.532 | 9 | ↓ |
