In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 20 | Yes |
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) | 3.44 | 5.06 | -10.83 | 2 | 3 | 0 | 53 | 261.28 | 0 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.82 | -45.98 | 1 | 3 | -1 | 56 | 260.272 | 0 | ↓ |