In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 22 | 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) | 4.81 | 7.67 | -43.91 | 1 | 5 | -1 | 86 | 330.401 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.81 | 7.72 | -110.87 | 0 | 5 | -2 | 88 | 329.393 | 10 | ↓ |