| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 36 | 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) | 2.91 | 9.45 | -43.76 | 0 | 8 | -1 | 101 | 485.516 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.32 | 9.88 | -21.3 | 0 | 8 | 0 | 95 | 486.524 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 8.88 | -27.5 | 1 | 8 | 0 | 98 | 486.524 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.91 | 9.48 | -51.88 | 2 | 8 | 1 | 99 | 487.532 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.32 | 10.16 | -59.37 | 1 | 8 | 1 | 96 | 487.532 | 8 | ↓ |
