In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 31 | 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) | 5.04 | 9.56 | -46.22 | 3 | 7 | 1 | 82 | 475.019 | 4 | ↓ |
Hi High (pH 8-9.5) | 5.04 | 9.22 | -40.3 | 2 | 7 | 0 | 85 | 474.011 | 4 | ↓ |