| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2009 | 30 | 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) | 1.42 | 6.49 | -67.27 | 2 | 8 | 0 | 107 | 476.327 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.42 | 4.73 | -101.8 | 0 | 8 | -2 | 109 | 474.311 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.42 | 7.25 | -95.75 | 1 | 8 | -1 | 110 | 475.319 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.42 | 5.2 | -58.62 | 3 | 8 | 1 | 104 | 477.335 | 7 | ↓ |
