In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 37 | 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) | 6.67 | 15.83 | -73.64 | 1 | 6 | 0 | 74 | 527.105 | 15 | ↓ |
Lo Low (pH 4.5-6) | 6.67 | 15.07 | -52.63 | 2 | 6 | 1 | 71 | 528.113 | 15 | ↓ |