| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2004 | 39 | 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) | 5.08 | 12.94 | -42.28 | 0 | 7 | -1 | 92 | 519.577 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 0.98 | -18.11 | 0 | 7 | 0 | 85 | 520.585 | 9 | ↓ |
| Mid Mid (pH 6-8) | 5.53 | 0.79 | -23.59 | 1 | 7 | 0 | 88 | 520.585 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.50 | 1.1 | -58.09 | 1 | 7 | 1 | 87 | 521.593 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.53 | 1.22 | -49.62 | 2 | 7 | 1 | 90 | 521.593 | 8 | ↓ |
