| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 31 | 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) | 2.60 | 9.59 | -84.89 | 1 | 7 | 0 | 83 | 442.537 | 10 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 7.06 | -63.11 | 0 | 7 | -1 | 82 | 441.529 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 8.55 | -61.11 | 2 | 7 | 1 | 81 | 443.545 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 9.43 | -68.21 | 1 | 7 | 1 | 77 | 443.545 | 10 | ↓ |
