| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2008 | 35 | 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) | 3.55 | 12.06 | -86 | 1 | 7 | 0 | 83 | 492.597 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.55 | 9.53 | -64.19 | 0 | 7 | -1 | 82 | 491.589 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.99 | 11.02 | -62.73 | 2 | 7 | 1 | 81 | 493.605 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.97 | 11.9 | -70 | 1 | 7 | 1 | 77 | 493.605 | 10 | ↓ |
