In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 9th, 2010 | 33 | 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) | 2.88 | 14.26 | -37.92 | 2 | 6 | 0 | 94 | 448.563 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.88 | 13.56 | -49.2 | 1 | 6 | -1 | 90 | 447.555 | 5 | ↓ |