In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 32 | 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) | -0.07 | -6.57 | -19.3 | 7 | 11 | 0 | 190 | 448.38 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.07 | -5.8 | -56.93 | 6 | 11 | -1 | 193 | 447.372 | 4 | ↓ |