| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 27 | No |
None
None
| 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) | 3.47 | 7.56 | -43.43 | 2 | 5 | 1 | 58 | 385.509 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.77 | -42.96 | 0 | 5 | -1 | 60 | 383.493 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 5.2 | -8.35 | 1 | 5 | 0 | 57 | 384.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 8.15 | -47.86 | 1 | 5 | 0 | 61 | 384.501 | 3 | ↓ |
