| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 25 | 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) | 1.09 | -2.24 | -17.9 | 2 | 7 | 0 | 118 | 358.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | -2.85 | -14.44 | 2 | 7 | 0 | 118 | 358.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | -3.64 | -14.35 | 2 | 7 | 0 | 118 | 358.423 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | -2.74 | -46.06 | 3 | 7 | 1 | 119 | 359.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.09 | -2.15 | -46.96 | 3 | 7 | 1 | 119 | 359.431 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | -3.53 | -48.36 | 3 | 7 | 1 | 119 | 359.431 | 7 | ↓ |
