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) | 3.08 | 7.02 | -56.91 | 1 | 6 | -1 | 90 | 412.437 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 6.27 | -13.38 | 2 | 6 | 0 | 87 | 413.445 | 7 | ↓ |