| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2007 | 32 | 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) | 2.19 | 8.13 | -61.75 | 0 | 7 | -1 | 92 | 429.452 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | -0.17 | -21.55 | 1 | 7 | 0 | 88 | 430.46 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | -0.12 | -14.63 | 0 | 7 | 0 | 85 | 430.46 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.63 | 7.4 | -45.63 | 2 | 7 | 1 | 90 | 431.468 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | -0.01 | -45.31 | 1 | 7 | 1 | 87 | 431.468 | 7 | ↓ |
