In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 16 | 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) | 3.45 | 9.97 | -33.92 | 1 | 1 | 1 | 4 | 216.348 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 7.76 | -1.98 | 0 | 1 | 0 | 3 | 215.34 | 2 | ↓ |