| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 38 | Yes |
| 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) | 4.12 | 13.62 | -129.09 | 6 | 8 | 3 | 79 | 525.81 | 14 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 10.8 | -43.11 | 4 | 8 | 1 | 76 | 523.794 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 14.98 | -224.82 | 7 | 8 | 4 | 83 | 526.818 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 14.63 | -170.44 | 6 | 8 | 3 | 82 | 525.81 | 14 | ↓ |
| Mid Mid (pH 6-8) | 4.12 | 13.28 | -86.07 | 5 | 8 | 2 | 77 | 524.802 | 14 | ↓ |
