| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 33 | 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) | 3.52 | 9.23 | -84.64 | 2 | 7 | 0 | 94 | 521.383 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 9.99 | -126.37 | 1 | 7 | -1 | 97 | 520.375 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 8.4 | -63.94 | 3 | 7 | 1 | 92 | 522.391 | 8 | ↓ |
