In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 4.68 | 10.66 | -60.96 | 0 | 5 | -1 | 70 | 424.542 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.68 | 9.91 | -14.9 | 1 | 5 | 0 | 67 | 425.55 | 8 | ↓ |