| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 31 | 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) | 4.21 | 12.99 | -46.19 | 1 | 5 | 0 | 65 | 438.955 | 8 | ↓ |
| Ref Reference (pH 7) | 4.21 | 13.23 | -68.84 | 1 | 5 | 0 | 65 | 438.955 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 11.36 | -58.01 | 0 | 5 | -1 | 64 | 437.947 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 11.04 | -38.09 | 0 | 5 | -1 | 64 | 437.947 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.21 | 12.38 | -47.52 | 2 | 5 | 1 | 62 | 439.963 | 9 | ↓ |
