In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 18 | 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) | 0.49 | 2.56 | -44.71 | 4 | 5 | 1 | 75 | 248.306 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 1.2 | -14.06 | 3 | 5 | 0 | 70 | 247.298 | 3 | ↓ |