In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 36 | 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) | 6.52 | 13.79 | -59.48 | 0 | 6 | -1 | 83 | 518.014 | 6 | ↓ |
Lo Low (pH 4.5-6) | 6.52 | 13.04 | -15.19 | 1 | 6 | 0 | 80 | 519.022 | 6 | ↓ |