| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 25th, 2010 | 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) | 7.79 | 17.05 | -70.16 | 1 | 4 | -1 | 73 | 398.567 | 15 | ↓ |
| Mid Mid (pH 6-8) | 8.74 | 15.04 | -138.8 | 0 | 4 | -2 | 76 | 397.559 | 15 | ↓ |
| Lo Low (pH 4.5-6) | 8.73 | 14.59 | -42.7 | 2 | 4 | 0 | 74 | 399.575 | 15 | ↓ |
