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) | 7.16 | 14.5 | -50.25 | 0 | 5 | -1 | 73 | 520.005 | 5 | ↓ |
Lo Low (pH 4.5-6) | 7.16 | 13.75 | -10.75 | 1 | 5 | 0 | 71 | 521.013 | 5 | ↓ |