| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 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) | 3.67 | 13.03 | -48.12 | 1 | 5 | 0 | 65 | 422.5 | 8 | ↓ |
| Ref Reference (pH 7) | 3.67 | 13.26 | -67.86 | 1 | 5 | 0 | 65 | 422.5 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 10.78 | -63.51 | 0 | 5 | -1 | 64 | 421.492 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.67 | 10.53 | -39.88 | 0 | 5 | -1 | 64 | 421.492 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.67 | 12.38 | -47.73 | 2 | 5 | 1 | 62 | 423.508 | 9 | ↓ |
