| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2006 | 18 | 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) | 4.12 | 5.23 | -6.33 | 1 | 3 | 0 | 42 | 261.708 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 5.99 | -42.63 | 0 | 3 | -1 | 45 | 260.7 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.12 | 4.78 | -36.24 | 0 | 3 | -1 | 45 | 260.7 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.12 | 4.44 | -37.06 | 2 | 3 | 1 | 43 | 262.716 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.12 | 5.72 | -33.48 | 2 | 3 | 1 | 43 | 262.716 | 3 | ↓ |
