In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2010 | 15 | 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) | 2.11 | 0.76 | -40.59 | 5 | 3 | 1 | 68 | 216.345 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.11 | 0.44 | -2.91 | 4 | 3 | 0 | 66 | 215.337 | 9 | ↓ |