| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2010 | 40 | 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) | -1.52 | 5.28 | -345.52 | 25 | 17 | 5 | 337 | 558.676 | 14 | ↓ |
| Hi High (pH 8-9.5) | -1.65 | 4.96 | -233.7 | 24 | 17 | 4 | 337 | 557.668 | 13 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 4.39 | -157.63 | 23 | 17 | 3 | 338 | 556.66 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 4.28 | -178.97 | 23 | 17 | 3 | 338 | 556.66 | 12 | ↓ |
| Mid Mid (pH 6-8) | -1.78 | 4.39 | -161.18 | 23 | 17 | 3 | 338 | 556.66 | 12 | ↓ |
