In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 12 | 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) | -1.27 | -2.39 | -45.62 | 5 | 5 | 1 | 89 | 174.224 | 6 | ↓ |
Hi High (pH 8-9.5) | -1.27 | -3.74 | -11.63 | 4 | 5 | 0 | 84 | 173.216 | 6 | ↓ |