| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 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) | 3.71 | 10.45 | -67.43 | 0 | 8 | -1 | 105 | 498.54 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.12 | -1.75 | -17.76 | 0 | 8 | 0 | 98 | 499.548 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.15 | -1.49 | -55.65 | 2 | 8 | 1 | 103 | 500.556 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.12 | -1.64 | -50.04 | 1 | 8 | 1 | 99 | 500.556 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 9.63 | -23.18 | 1 | 8 | 0 | 102 | 499.548 | 4 | ↓ |
