In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 40 | 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) | 6.15 | 13.98 | -11.99 | 0 | 6 | 0 | 53 | 542.651 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.15 | 16.23 | -54.69 | 1 | 6 | 1 | 54 | 543.659 | 8 | ↓ |