| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 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) | 3.11 | 6.77 | -6.47 | 2 | 5 | 0 | 101 | 397.404 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.20 | 4.46 | -102.95 | 3 | 5 | 2 | 101 | 399.42 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 6.57 | -45.53 | 3 | 5 | 1 | 102 | 398.412 | 3 | ↓ |
