| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2008 | 31 | 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) | 2.88 | 10.86 | -71.3 | 1 | 8 | 0 | 111 | 427.432 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.88 | 8.32 | -52.03 | 0 | 8 | -1 | 109 | 426.424 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 9.71 | -64.66 | 2 | 8 | 1 | 108 | 428.44 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 10.73 | -67.05 | 1 | 8 | 1 | 105 | 428.44 | 7 | ↓ |
