| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 25th, 2006 | 29 | 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) | 3.08 | 8.55 | -59.27 | 0 | 5 | -1 | 70 | 398.385 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 0.56 | -25.1 | 0 | 5 | 0 | 63 | 399.393 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 7.78 | -15.6 | 1 | 5 | 0 | 67 | 399.393 | 5 | ↓ |
