In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2009 | 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) | 5.40 | 10.21 | -9.86 | 2 | 4 | 0 | 62 | 447.629 | 4 | ↓ |
Lo Low (pH 4.5-6) | 5.40 | 10.67 | -46.79 | 3 | 4 | 1 | 64 | 448.637 | 4 | ↓ |