In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 11 | Yes |
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) | -1.10 | 1.23 | -181.73 | 7 | 3 | 3 | 61 | 162.301 | 8 | ↓ |
Hi High (pH 8-9.5) | -1.10 | -0.51 | -37.4 | 5 | 3 | 1 | 55 | 160.285 | 8 | ↓ |
Hi High (pH 8-9.5) | -1.10 | -0.49 | -35.82 | 5 | 3 | 1 | 55 | 160.285 | 8 | ↓ |