| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2007 | 34 | 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) | 2.08 | 6.82 | -61.21 | 0 | 8 | -1 | 95 | 464.542 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 9.45 | -53.85 | 2 | 8 | 1 | 93 | 466.558 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | -1.28 | -51.28 | 1 | 8 | 1 | 90 | 466.558 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 9.15 | -79.55 | 1 | 8 | 0 | 96 | 465.55 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 9.73 | -104.57 | 3 | 8 | 2 | 95 | 467.566 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | -1.17 | -105.05 | 2 | 8 | 2 | 91 | 467.566 | 9 | ↓ |
