| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 24th, 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) | 3.35 | 3.93 | -57.79 | 2 | 7 | -1 | 108 | 461.288 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 4.84 | -116.36 | 1 | 7 | -2 | 111 | 460.28 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 3.16 | -17.94 | 3 | 7 | 0 | 105 | 462.296 | 7 | ↓ |
