In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 34 | 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) | 5.70 | 10.93 | -27.42 | 2 | 7 | 0 | 93 | 490.972 | 7 | ↓ |
Hi High (pH 8-9.5) | 5.77 | 9.25 | -66.94 | 1 | 7 | -1 | 100 | 489.964 | 7 | ↓ |