In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 24th, 2009 | 27 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | 3.90 | 5.62 | -46.63 | 1 | 7 | -1 | 102 | 420.879 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 6.64 | -18.29 | 1 | 7 | 0 | 96 | 421.887 | 2 | ↓ |