| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 13 | 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) | 0.65 | 5.02 | -14.18 | 1 | 3 | 0 | 58 | 181.235 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 0.11 | -33.09 | 3 | 3 | 1 | 62 | 182.243 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 0.14 | -29.73 | 3 | 3 | 1 | 62 | 182.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | -0.67 | -34.33 | 2 | 3 | 1 | 59 | 182.243 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 3.75 | -12.64 | 1 | 3 | 0 | 58 | 181.235 | 1 | ↓ |
