| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 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) | -0.58 | 3.19 | -228.85 | 3 | 12 | -3 | 216 | 456.387 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 2.09 | -133.65 | 4 | 12 | -2 | 213 | 457.395 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 4.13 | -102.98 | 5 | 12 | -1 | 214 | 458.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | 5.55 | -109.93 | 4 | 12 | -1 | 211 | 458.403 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | 4.44 | -64.86 | 5 | 12 | 0 | 208 | 459.411 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.58 | 5.27 | -213.62 | 4 | 12 | -2 | 217 | 457.395 | 3 | ↓ |
