| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 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) | 1.23 | 5.22 | -68.92 | 0 | 8 | -1 | 95 | 440.451 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 6.3 | -56.7 | 2 | 8 | 1 | 93 | 442.467 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 7.5 | -60.36 | 1 | 8 | 1 | 90 | 442.467 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 7.61 | -74.65 | 1 | 8 | 0 | 96 | 441.459 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.65 | 7.73 | -120.31 | 2 | 8 | 2 | 91 | 443.475 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 7.07 | -107.07 | 3 | 8 | 2 | 95 | 443.475 | 7 | ↓ |
