In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 35 | 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) | 3.54 | 9.99 | -27.34 | 1 | 10 | 0 | 128 | 575.669 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 10.56 | -45.72 | 0 | 10 | -1 | 131 | 574.661 | 7 | ↓ |