In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 24th, 2010 | 30 | 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) | 3.40 | 7.07 | -61.71 | 1 | 6 | -1 | 92 | 406.389 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.40 | 6.3 | -18.69 | 2 | 6 | 0 | 89 | 407.397 | 6 | ↓ |